# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/29b8de7b-9027-454c-af14-a24c81ea7f1a/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbLiCl2 / Cmcm (63) / materials id 28243](https://mdr.nims.go.jp/datasets/44faf044-f04f-44ea-b1bb-3fdf92d06f43) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 06:53:18]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 128------------------------------ primitive cell ------------------------------Lattice vectors: a 2.056235845000000 -7.173954960000000 0.000000000000000 b 2.056235845000000 7.173954960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.147187990000000Atomic positions (fractional): *1 Rb 0.37071126579883 0.62928873420117 0.25000000000000 85.468 2 Rb 0.62928873420117 0.37071126579883 0.75000000000000 85.468 *3 Li 0.89567539907090 0.10432460092910 0.75000000000000 6.941 4 Li 0.10432460092910 0.89567539907090 0.25000000000000 6.941 *5 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 6 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 *7 Cl 0.68984720622972 0.31015279377028 0.25000000000000 35.453 8 Cl 0.31015279377028 0.68984720622972 0.75000000000000 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.112471690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.347909919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.147187990000000Atomic positions (fractional): *1 Rb 0.00000000000000 0.62928873420117 0.25000000000000 85.468 > 1 2 Rb 0.50000000000000 0.87071126579883 0.75000000000000 85.468 > 2 3 Rb 0.50000000000000 0.12928873420116 0.25000000000000 85.468 > 1 4 Rb 0.00000000000000 0.37071126579884 0.75000000000000 85.468 > 2 *5 Li 0.50000000000000 0.60432460092910 0.75000000000000 6.941 > 3 6 Li 0.00000000000000 0.89567539907090 0.25000000000000 6.941 > 4 7 Li 0.00000000000000 0.10432460092910 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.39567539907090 0.25000000000000 6.941 > 4 *9 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 5 10 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 6 *11 Cl 0.50000000000000 0.81015279377028 0.25000000000000 35.453 > 7 12 Cl 0.00000000000000 0.68984720622972 0.75000000000000 35.453 > 8 13 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 5 14 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 > 6 15 Cl 0.00000000000000 0.31015279377028 0.25000000000000 35.453 > 7 16 Cl 0.50000000000000 0.18984720622972 0.75000000000000 35.453 > 8-------------------------------- super cell --------------------------------Lattice vectors: a 16.449886759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.347909919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.294375980000000Atomic positions (fractional): *1 Rb 0.00000000000000 0.62928873420117 0.12500000000000 85.468 > 1 2 Rb 0.25000000000000 0.62928873420117 0.12500000000000 85.468 > 1 3 Rb 0.50000000000000 0.62928873420117 0.12500000000000 85.468 > 1 4 Rb 0.75000000000000 0.62928873420117 0.12500000000000 85.468 > 1 5 Rb 0.00000000000000 0.62928873420117 0.62500000000000 85.468 > 1 6 Rb 0.25000000000000 0.62928873420117 0.62500000000000 85.468 > 1 7 Rb 0.50000000000000 0.62928873420117 0.62500000000000 85.468 > 1 8 Rb 0.75000000000000 0.62928873420117 0.62500000000000 85.468 > 1 9 Rb 0.12500000000000 0.87071126579883 0.37500000000000 85.468 > 2 10 Rb 0.37500000000000 0.87071126579883 0.37500000000000 85.468 > 2 11 Rb 0.62500000000000 0.87071126579883 0.37500000000000 85.468 > 2 12 Rb 0.87500000000000 0.87071126579883 0.37500000000000 85.468 > 2 13 Rb 0.12500000000000 0.87071126579883 0.87500000000000 85.468 > 2 14 Rb 0.37500000000000 0.87071126579883 0.87500000000000 85.468 > 2 15 Rb 0.62500000000000 0.87071126579883 0.87500000000000 85.468 > 2 16 Rb 0.87500000000000 0.87071126579883 0.87500000000000 85.468 > 2 17 Rb 0.12500000000000 0.12928873420116 0.12500000000000 85.468 > 1 18 Rb 0.37500000000000 0.12928873420116 0.12500000000000 85.468 > 1 19 Rb 0.62500000000000 0.12928873420116 0.12500000000000 85.468 > 1 20 Rb 0.87500000000000 0.12928873420116 0.12500000000000 85.468 > 1 21 Rb 0.12500000000000 0.12928873420116 0.62500000000000 85.468 > 1 22 Rb 0.37500000000000 0.12928873420116 0.62500000000000 85.468 > 1 23 Rb 0.62500000000000 0.12928873420116 0.62500000000000 85.468 > 1 24 Rb 0.87500000000000 0.12928873420116 0.62500000000000 85.468 > 1 25 Rb 0.00000000000000 0.37071126579884 0.37500000000000 85.468 > 2 26 Rb 0.25000000000000 0.37071126579884 0.37500000000000 85.468 > 2 27 Rb 0.50000000000000 0.37071126579884 0.37500000000000 85.468 > 2 28 Rb 0.75000000000000 0.37071126579884 0.37500000000000 85.468 > 2 29 Rb 0.00000000000000 0.37071126579884 0.87500000000000 85.468 > 2 30 Rb 0.25000000000000 0.37071126579884 0.87500000000000 85.468 > 2 31 Rb 0.50000000000000 0.37071126579884 0.87500000000000 85.468 > 2 32 Rb 0.75000000000000 0.37071126579884 0.87500000000000 85.468 > 2 *33 Li 0.12500000000000 0.60432460092910 0.37500000000000 6.941 > 3 34 Li 0.37500000000000 0.60432460092910 0.37500000000000 6.941 > 3 35 Li 0.62500000000000 0.60432460092910 0.37500000000000 6.941 > 3 36 Li 0.87500000000000 0.60432460092910 0.37500000000000 6.941 > 3 37 Li 0.12500000000000 0.60432460092910 0.87500000000000 6.941 > 3 38 Li 0.37500000000000 0.60432460092910 0.87500000000000 6.941 > 3 39 Li 0.62500000000000 0.60432460092910 0.87500000000000 6.941 > 3 40 Li 0.87500000000000 0.60432460092910 0.87500000000000 6.941 > 3 41 Li 0.00000000000000 0.89567539907090 0.12500000000000 6.941 > 4 42 Li 0.25000000000000 0.89567539907090 0.12500000000000 6.941 > 4 43 Li 0.50000000000000 0.89567539907090 0.12500000000000 6.941 > 4 44 Li 0.75000000000000 0.89567539907090 0.12500000000000 6.941 > 4 45 Li 0.00000000000000 0.89567539907090 0.62500000000000 6.941 > 4 46 Li 0.25000000000000 0.89567539907090 0.62500000000000 6.941 > 4 47 Li 0.50000000000000 0.89567539907090 0.62500000000000 6.941 > 4 48 Li 0.75000000000000 0.89567539907090 0.62500000000000 6.941 > 4 49 Li 0.00000000000000 0.10432460092910 0.37500000000000 6.941 > 3 50 Li 0.25000000000000 0.10432460092910 0.37500000000000 6.941 > 3 51 Li 0.50000000000000 0.10432460092910 0.37500000000000 6.941 > 3 52 Li 0.75000000000000 0.10432460092910 0.37500000000000 6.941 > 3 53 Li 0.00000000000000 0.10432460092910 0.87500000000000 6.941 > 3 54 Li 0.25000000000000 0.10432460092910 0.87500000000000 6.941 > 3 55 Li 0.50000000000000 0.10432460092910 0.87500000000000 6.941 > 3 56 Li 0.75000000000000 0.10432460092910 0.87500000000000 6.941 > 3 57 Li 0.12500000000000 0.39567539907090 0.12500000000000 6.941 > 4 58 Li 0.37500000000000 0.39567539907090 0.12500000000000 6.941 > 4 59 Li 0.62500000000000 0.39567539907090 0.12500000000000 6.941 > 4 60 Li 0.87500000000000 0.39567539907090 0.12500000000000 6.941 > 4 61 Li 0.12500000000000 0.39567539907090 0.62500000000000 6.941 > 4 62 Li 0.37500000000000 0.39567539907090 0.62500000000000 6.941 > 4 63 Li 0.62500000000000 0.39567539907090 0.62500000000000 6.941 > 4 64 Li 0.87500000000000 0.39567539907090 0.62500000000000 6.941 > 4 *65 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 5 66 Cl 0.25000000000000 0.00000000000000 0.00000000000000 35.453 > 5 67 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 5 68 Cl 0.75000000000000 0.00000000000000 0.00000000000000 35.453 > 5 69 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 5 70 Cl 0.25000000000000 0.00000000000000 0.50000000000000 35.453 > 5 71 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 5 72 Cl 0.75000000000000 0.00000000000000 0.50000000000000 35.453 > 5 73 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 6 74 Cl 0.25000000000000 0.00000000000000 0.25000000000000 35.453 > 6 75 Cl 0.50000000000000 0.00000000000000 0.25000000000000 35.453 > 6 76 Cl 0.75000000000000 0.00000000000000 0.25000000000000 35.453 > 6 77 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 6 78 Cl 0.25000000000000 0.00000000000000 0.75000000000000 35.453 > 6 79 Cl 0.50000000000000 0.00000000000000 0.75000000000000 35.453 > 6 80 Cl 0.75000000000000 0.00000000000000 0.75000000000000 35.453 > 6 *81 Cl 0.12500000000000 0.81015279377028 0.12500000000000 35.453 > 7 82 Cl 0.37500000000000 0.81015279377028 0.12500000000000 35.453 > 7 83 Cl 0.62500000000000 0.81015279377028 0.12500000000000 35.453 > 7 84 Cl 0.87500000000000 0.81015279377028 0.12500000000000 35.453 > 7 85 Cl 0.12500000000000 0.81015279377028 0.62500000000000 35.453 > 7 86 Cl 0.37500000000000 0.81015279377028 0.62500000000000 35.453 > 7 87 Cl 0.62500000000000 0.81015279377028 0.62500000000000 35.453 > 7 88 Cl 0.87500000000000 0.81015279377028 0.62500000000000 35.453 > 7 89 Cl 0.00000000000000 0.68984720622972 0.37500000000000 35.453 > 8 90 Cl 0.25000000000000 0.68984720622972 0.37500000000000 35.453 > 8 91 Cl 0.50000000000000 0.68984720622972 0.37500000000000 35.453 > 8 92 Cl 0.75000000000000 0.68984720622972 0.37500000000000 35.453 > 8 93 Cl 0.00000000000000 0.68984720622972 0.87500000000000 35.453 > 8 94 Cl 0.25000000000000 0.68984720622972 0.87500000000000 35.453 > 8 95 Cl 0.50000000000000 0.68984720622972 0.87500000000000 35.453 > 8 96 Cl 0.75000000000000 0.68984720622972 0.87500000000000 35.453 > 8 97 Cl 0.12500000000000 0.50000000000000 0.00000000000000 35.453 > 5 98 Cl 0.37500000000000 0.50000000000000 0.00000000000000 35.453 > 5 99 Cl 0.62500000000000 0.50000000000000 0.00000000000000 35.453 > 5 100 Cl 0.87500000000000 0.50000000000000 0.00000000000000 35.453 > 5 101 Cl 0.12500000000000 0.50000000000000 0.50000000000000 35.453 > 5 102 Cl 0.37500000000000 0.50000000000000 0.50000000000000 35.453 > 5 103 Cl 0.62500000000000 0.50000000000000 0.50000000000000 35.453 > 5 104 Cl 0.87500000000000 0.50000000000000 0.50000000000000 35.453 > 5 105 Cl 0.12500000000000 0.50000000000000 0.25000000000000 35.453 > 6 106 Cl 0.37500000000000 0.50000000000000 0.25000000000000 35.453 > 6 107 Cl 0.62500000000000 0.50000000000000 0.25000000000000 35.453 > 6 108 Cl 0.87500000000000 0.50000000000000 0.25000000000000 35.453 > 6 109 Cl 0.12500000000000 0.50000000000000 0.75000000000000 35.453 > 6 110 Cl 0.37500000000000 0.50000000000000 0.75000000000000 35.453 > 6 111 Cl 0.62500000000000 0.50000000000000 0.75000000000000 35.453 > 6 112 Cl 0.87500000000000 0.50000000000000 0.75000000000000 35.453 > 6 113 Cl 0.00000000000000 0.31015279377028 0.12500000000000 35.453 > 7 114 Cl 0.25000000000000 0.31015279377028 0.12500000000000 35.453 > 7 115 Cl 0.50000000000000 0.31015279377028 0.12500000000000 35.453 > 7 116 Cl 0.75000000000000 0.31015279377028 0.12500000000000 35.453 > 7 117 Cl 0.00000000000000 0.31015279377028 0.62500000000000 35.453 > 7 118 Cl 0.25000000000000 0.31015279377028 0.62500000000000 35.453 > 7 119 Cl 0.50000000000000 0.31015279377028 0.62500000000000 35.453 > 7 120 Cl 0.75000000000000 0.31015279377028 0.62500000000000 35.453 > 7 121 Cl 0.12500000000000 0.18984720622972 0.37500000000000 35.453 > 8 122 Cl 0.37500000000000 0.18984720622972 0.37500000000000 35.453 > 8 123 Cl 0.62500000000000 0.18984720622972 0.37500000000000 35.453 > 8 124 Cl 0.87500000000000 0.18984720622972 0.37500000000000 35.453 > 8 125 Cl 0.12500000000000 0.18984720622972 0.87500000000000 35.453 > 8 126 Cl 0.37500000000000 0.18984720622972 0.87500000000000 35.453 > 8 127 Cl 0.62500000000000 0.18984720622972 0.87500000000000 35.453 > 8 128 Cl 0.87500000000000 0.18984720622972 0.87500000000000 35.453 > 8----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5442505 0.0000000 0.0000000 0.0000000 2.5508656 0.0000000 0.0000000 0.0000000 2.5371879-------------------------- Born effective charges -------------------------- 1 Rb 1.1753567 0.0000000 0.0000000 0.0000000 1.2505738 0.0000000 0.0000000 0.0000000 1.2130559 2 Rb 1.1753567 0.0000000 0.0000000 0.0000000 1.2505738 0.0000000 0.0000000 0.0000000 1.2130559 3 Li 1.0555367 0.0000000 0.0000000 0.0000000 0.9960250 0.0000000 0.0000000 0.0000000 0.9639797 4 Li 1.0555367 0.0000000 0.0000000 0.0000000 0.9960250 0.0000000 0.0000000 0.0000000 0.9639797 5 Cl -0.9276762 0.0000000 0.0000000 0.0000000 -1.1119266 0.0914407 0.0000000 0.1057650 -1.2484665 6 Cl -0.9276762 0.0000000 0.0000000 0.0000000 -1.1119266 -0.0914407 0.0000000 -0.1057650 -1.2484665 7 Cl -1.3032171 0.0000000 0.0000000 0.0000000 -1.1346722 0.0000000 0.0000000 0.0000000 -0.9285691 8 Cl -1.3032171 0.0000000 0.0000000 0.0000000 -1.1346722 0.0000000 0.0000000 0.0000000 -0.9285691----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 384/384Permutation basis: 5712/5712Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 711Number of blocks in projector: 711Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 66Use standard eigh solver.Tree of FC basis block matrices:- (711, 697), data: False|-- (66, 66), data: True|-- (120, 118), data: True|-- (120, 120), data: True|-- (135, 131), data: True|-- (135, 131), data: True|-- (135, 131), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.019Solver_block: 100 / 160 - Time: 0.728Solver_block: 160 / 160 - Time: 0.525Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.394--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384Permutation basis: 5712/5712Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 711Number of blocks in projector: 711Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 66Use standard eigh solver.Tree of FC basis block matrices:- (711, 697), data: False|-- (66, 66), data: True|-- (120, 118), data: True|-- (120, 120), data: True|-- (135, 131), data: True|-- (135, 131), data: True|-- (135, 131), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 06:53:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:53:32]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [4 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.056235845000000 -7.173954960000000 0.000000000000000 b 2.056235845000000 7.173954960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.147187990000000Atomic positions (fractional): 1 Rb 0.37071126579883 0.62928873420117 0.25000000000000 85.468 2 Rb 0.62928873420117 0.37071126579883 0.75000000000000 85.468 3 Li 0.89567539907090 0.10432460092910 0.75000000000000 6.941 4 Li 0.10432460092910 0.89567539907090 0.25000000000000 6.941 5 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 6 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 7 Cl 0.68984720622972 0.31015279377028 0.25000000000000 35.453 8 Cl 0.31015279377028 0.68984720622972 0.75000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 16.449886759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.347909919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.294375980000000Atomic positions (fractional): 1 Rb 0.00000000000000 0.62928873420117 0.12500000000000 85.468 > 1 2 Rb 0.25000000000000 0.62928873420117 0.12500000000000 85.468 > 1 3 Rb 0.50000000000000 0.62928873420117 0.12500000000000 85.468 > 1 4 Rb 0.75000000000000 0.62928873420117 0.12500000000000 85.468 > 1 5 Rb 0.00000000000000 0.62928873420117 0.62500000000000 85.468 > 1 6 Rb 0.25000000000000 0.62928873420117 0.62500000000000 85.468 > 1 7 Rb 0.50000000000000 0.62928873420117 0.62500000000000 85.468 > 1 8 Rb 0.75000000000000 0.62928873420117 0.62500000000000 85.468 > 1 9 Rb 0.12500000000000 0.87071126579883 0.37500000000000 85.468 > 9 10 Rb 0.37500000000000 0.87071126579883 0.37500000000000 85.468 > 9 11 Rb 0.62500000000000 0.87071126579883 0.37500000000000 85.468 > 9 12 Rb 0.87500000000000 0.87071126579883 0.37500000000000 85.468 > 9 13 Rb 0.12500000000000 0.87071126579883 0.87500000000000 85.468 > 9 14 Rb 0.37500000000000 0.87071126579883 0.87500000000000 85.468 > 9 15 Rb 0.62500000000000 0.87071126579883 0.87500000000000 85.468 > 9 16 Rb 0.87500000000000 0.87071126579883 0.87500000000000 85.468 > 9 17 Rb 0.12500000000000 0.12928873420116 0.12500000000000 85.468 > 1 18 Rb 0.37500000000000 0.12928873420116 0.12500000000000 85.468 > 1 19 Rb 0.62500000000000 0.12928873420116 0.12500000000000 85.468 > 1 20 Rb 0.87500000000000 0.12928873420116 0.12500000000000 85.468 > 1 21 Rb 0.12500000000000 0.12928873420116 0.62500000000000 85.468 > 1 22 Rb 0.37500000000000 0.12928873420116 0.62500000000000 85.468 > 1 23 Rb 0.62500000000000 0.12928873420116 0.62500000000000 85.468 > 1 24 Rb 0.87500000000000 0.12928873420116 0.62500000000000 85.468 > 1 25 Rb 0.00000000000000 0.37071126579884 0.37500000000000 85.468 > 9 26 Rb 0.25000000000000 0.37071126579884 0.37500000000000 85.468 > 9 27 Rb 0.50000000000000 0.37071126579884 0.37500000000000 85.468 > 9 28 Rb 0.75000000000000 0.37071126579884 0.37500000000000 85.468 > 9 29 Rb 0.00000000000000 0.37071126579884 0.87500000000000 85.468 > 9 30 Rb 0.25000000000000 0.37071126579884 0.87500000000000 85.468 > 9 31 Rb 0.50000000000000 0.37071126579884 0.87500000000000 85.468 > 9 32 Rb 0.75000000000000 0.37071126579884 0.87500000000000 85.468 > 9 33 Li 0.12500000000000 0.60432460092910 0.37500000000000 6.941 > 33 34 Li 0.37500000000000 0.60432460092910 0.37500000000000 6.941 > 33 35 Li 0.62500000000000 0.60432460092910 0.37500000000000 6.941 > 33 36 Li 0.87500000000000 0.60432460092910 0.37500000000000 6.941 > 33 37 Li 0.12500000000000 0.60432460092910 0.87500000000000 6.941 > 33 38 Li 0.37500000000000 0.60432460092910 0.87500000000000 6.941 > 33 39 Li 0.62500000000000 0.60432460092910 0.87500000000000 6.941 > 33 40 Li 0.87500000000000 0.60432460092910 0.87500000000000 6.941 > 33 41 Li 0.00000000000000 0.89567539907090 0.12500000000000 6.941 > 41 42 Li 0.25000000000000 0.89567539907090 0.12500000000000 6.941 > 41 43 Li 0.50000000000000 0.89567539907090 0.12500000000000 6.941 > 41 44 Li 0.75000000000000 0.89567539907090 0.12500000000000 6.941 > 41 45 Li 0.00000000000000 0.89567539907090 0.62500000000000 6.941 > 41 46 Li 0.25000000000000 0.89567539907090 0.62500000000000 6.941 > 41 47 Li 0.50000000000000 0.89567539907090 0.62500000000000 6.941 > 41 48 Li 0.75000000000000 0.89567539907090 0.62500000000000 6.941 > 41 49 Li 0.00000000000000 0.10432460092910 0.37500000000000 6.941 > 33 50 Li 0.25000000000000 0.10432460092910 0.37500000000000 6.941 > 33 51 Li 0.50000000000000 0.10432460092910 0.37500000000000 6.941 > 33 52 Li 0.75000000000000 0.10432460092910 0.37500000000000 6.941 > 33 53 Li 0.00000000000000 0.10432460092910 0.87500000000000 6.941 > 33 54 Li 0.25000000000000 0.10432460092910 0.87500000000000 6.941 > 33 55 Li 0.50000000000000 0.10432460092910 0.87500000000000 6.941 > 33 56 Li 0.75000000000000 0.10432460092910 0.87500000000000 6.941 > 33 57 Li 0.12500000000000 0.39567539907090 0.12500000000000 6.941 > 41 58 Li 0.37500000000000 0.39567539907090 0.12500000000000 6.941 > 41 59 Li 0.62500000000000 0.39567539907090 0.12500000000000 6.941 > 41 60 Li 0.87500000000000 0.39567539907090 0.12500000000000 6.941 > 41 61 Li 0.12500000000000 0.39567539907090 0.62500000000000 6.941 > 41 62 Li 0.37500000000000 0.39567539907090 0.62500000000000 6.941 > 41 63 Li 0.62500000000000 0.39567539907090 0.62500000000000 6.941 > 41 64 Li 0.87500000000000 0.39567539907090 0.62500000000000 6.941 > 41 65 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 65 66 Cl 0.25000000000000 0.00000000000000 0.00000000000000 35.453 > 65 67 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 65 68 Cl 0.75000000000000 0.00000000000000 0.00000000000000 35.453 > 65 69 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 65 70 Cl 0.25000000000000 0.00000000000000 0.50000000000000 35.453 > 65 71 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 65 72 Cl 0.75000000000000 0.00000000000000 0.50000000000000 35.453 > 65 73 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 73 74 Cl 0.25000000000000 0.00000000000000 0.25000000000000 35.453 > 73 75 Cl 0.50000000000000 0.00000000000000 0.25000000000000 35.453 > 73 76 Cl 0.75000000000000 0.00000000000000 0.25000000000000 35.453 > 73 77 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 73 78 Cl 0.25000000000000 0.00000000000000 0.75000000000000 35.453 > 73 79 Cl 0.50000000000000 0.00000000000000 0.75000000000000 35.453 > 73 80 Cl 0.75000000000000 0.00000000000000 0.75000000000000 35.453 > 73 81 Cl 0.12500000000000 0.81015279377028 0.12500000000000 35.453 > 81 82 Cl 0.37500000000000 0.81015279377028 0.12500000000000 35.453 > 81 83 Cl 0.62500000000000 0.81015279377028 0.12500000000000 35.453 > 81 84 Cl 0.87500000000000 0.81015279377028 0.12500000000000 35.453 > 81 85 Cl 0.12500000000000 0.81015279377028 0.62500000000000 35.453 > 81 86 Cl 0.37500000000000 0.81015279377028 0.62500000000000 35.453 > 81 87 Cl 0.62500000000000 0.81015279377028 0.62500000000000 35.453 > 81 88 Cl 0.87500000000000 0.81015279377028 0.62500000000000 35.453 > 81 89 Cl 0.00000000000000 0.68984720622972 0.37500000000000 35.453 > 89 90 Cl 0.25000000000000 0.68984720622972 0.37500000000000 35.453 > 89 91 Cl 0.50000000000000 0.68984720622972 0.37500000000000 35.453 > 89 92 Cl 0.75000000000000 0.68984720622972 0.37500000000000 35.453 > 89 93 Cl 0.00000000000000 0.68984720622972 0.87500000000000 35.453 > 89 94 Cl 0.25000000000000 0.68984720622972 0.87500000000000 35.453 > 89 95 Cl 0.50000000000000 0.68984720622972 0.87500000000000 35.453 > 89 96 Cl 0.75000000000000 0.68984720622972 0.87500000000000 35.453 > 89 97 Cl 0.12500000000000 0.50000000000000 0.00000000000000 35.453 > 65 98 Cl 0.37500000000000 0.50000000000000 0.00000000000000 35.453 > 65 99 Cl 0.62500000000000 0.50000000000000 0.00000000000000 35.453 > 65 100 Cl 0.87500000000000 0.50000000000000 0.00000000000000 35.453 > 65 101 Cl 0.12500000000000 0.50000000000000 0.50000000000000 35.453 > 65 102 Cl 0.37500000000000 0.50000000000000 0.50000000000000 35.453 > 65 103 Cl 0.62500000000000 0.50000000000000 0.50000000000000 35.453 > 65 104 Cl 0.87500000000000 0.50000000000000 0.50000000000000 35.453 > 65 105 Cl 0.12500000000000 0.50000000000000 0.25000000000000 35.453 > 73 106 Cl 0.37500000000000 0.50000000000000 0.25000000000000 35.453 > 73 107 Cl 0.62500000000000 0.50000000000000 0.25000000000000 35.453 > 73 108 Cl 0.87500000000000 0.50000000000000 0.25000000000000 35.453 > 73 109 Cl 0.12500000000000 0.50000000000000 0.75000000000000 35.453 > 73 110 Cl 0.37500000000000 0.50000000000000 0.75000000000000 35.453 > 73 111 Cl 0.62500000000000 0.50000000000000 0.75000000000000 35.453 > 73 112 Cl 0.87500000000000 0.50000000000000 0.75000000000000 35.453 > 73 113 Cl 0.00000000000000 0.31015279377028 0.12500000000000 35.453 > 81 114 Cl 0.25000000000000 0.31015279377028 0.12500000000000 35.453 > 81 115 Cl 0.50000000000000 0.31015279377028 0.12500000000000 35.453 > 81 116 Cl 0.75000000000000 0.31015279377028 0.12500000000000 35.453 > 81 117 Cl 0.00000000000000 0.31015279377028 0.62500000000000 35.453 > 81 118 Cl 0.25000000000000 0.31015279377028 0.62500000000000 35.453 > 81 119 Cl 0.50000000000000 0.31015279377028 0.62500000000000 35.453 > 81 120 Cl 0.75000000000000 0.31015279377028 0.62500000000000 35.453 > 81 121 Cl 0.12500000000000 0.18984720622972 0.37500000000000 35.453 > 89 122 Cl 0.37500000000000 0.18984720622972 0.37500000000000 35.453 > 89 123 Cl 0.62500000000000 0.18984720622972 0.37500000000000 35.453 > 89 124 Cl 0.87500000000000 0.18984720622972 0.37500000000000 35.453 > 89 125 Cl 0.12500000000000 0.18984720622972 0.87500000000000 35.453 > 89 126 Cl 0.37500000000000 0.18984720622972 0.87500000000000 35.453 > 89 127 Cl 0.62500000000000 0.18984720622972 0.87500000000000 35.453 > 89 128 Cl 0.87500000000000 0.18984720622972 0.87500000000000 35.453 > 89----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5442505 0.0000000 0.0000000 0.0000000 2.5508656 0.0000000 0.0000000 0.0000000 2.5371879-------------------------- Born effective charges -------------------------- 1 Rb 1.1753567 0.0000000 0.0000000 0.0000000 1.2505738 0.0000000 0.0000000 0.0000000 1.2130559 2 Rb 1.1753567 0.0000000 0.0000000 0.0000000 1.2505738 0.0000000 0.0000000 0.0000000 1.2130559 3 Li 1.0555367 0.0000000 0.0000000 0.0000000 0.9960250 0.0000000 0.0000000 0.0000000 0.9639797 4 Li 1.0555367 0.0000000 0.0000000 0.0000000 0.9960250 0.0000000 0.0000000 0.0000000 0.9639797 5 Cl -0.9276762 0.0000000 0.0000000 0.0000000 -1.1119266 0.0914407 0.0000000 0.1057650 -1.2484665 6 Cl -0.9276762 0.0000000 0.0000000 0.0000000 -1.1119266 -0.0914407 0.0000000 -0.1057650 -1.2484665 7 Cl -1.3032171 0.0000000 0.0000000 0.0000000 -1.1346722 0.0000000 0.0000000 0.0000000 -0.9285691 8 Cl -1.3032171 0.0000000 0.0000000 0.0000000 -1.1346722 0.0000000 0.0000000 0.0000000 -0.9285691----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:53:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:53:44]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [4 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.056235845000000 -7.173954960000000 0.000000000000000 b 2.056235845000000 7.173954960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.147187990000000Atomic positions (fractional): 1 Rb 0.37071126579883 0.62928873420117 0.25000000000000 85.468 2 Rb 0.62928873420117 0.37071126579883 0.75000000000000 85.468 3 Li 0.89567539907090 0.10432460092910 0.75000000000000 6.941 4 Li 0.10432460092910 0.89567539907090 0.25000000000000 6.941 5 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 6 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 7 Cl 0.68984720622972 0.31015279377028 0.25000000000000 35.453 8 Cl 0.31015279377028 0.68984720622972 0.75000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 16.449886759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.347909919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.294375980000000Atomic positions (fractional): 1 Rb 0.00000000000000 0.62928873420117 0.12500000000000 85.468 > 1 2 Rb 0.25000000000000 0.62928873420117 0.12500000000000 85.468 > 1 3 Rb 0.50000000000000 0.62928873420117 0.12500000000000 85.468 > 1 4 Rb 0.75000000000000 0.62928873420117 0.12500000000000 85.468 > 1 5 Rb 0.00000000000000 0.62928873420117 0.62500000000000 85.468 > 1 6 Rb 0.25000000000000 0.62928873420117 0.62500000000000 85.468 > 1 7 Rb 0.50000000000000 0.62928873420117 0.62500000000000 85.468 > 1 8 Rb 0.75000000000000 0.62928873420117 0.62500000000000 85.468 > 1 9 Rb 0.12500000000000 0.87071126579883 0.37500000000000 85.468 > 9 10 Rb 0.37500000000000 0.87071126579883 0.37500000000000 85.468 > 9 11 Rb 0.62500000000000 0.87071126579883 0.37500000000000 85.468 > 9 12 Rb 0.87500000000000 0.87071126579883 0.37500000000000 85.468 > 9 13 Rb 0.12500000000000 0.87071126579883 0.87500000000000 85.468 > 9 14 Rb 0.37500000000000 0.87071126579883 0.87500000000000 85.468 > 9 15 Rb 0.62500000000000 0.87071126579883 0.87500000000000 85.468 > 9 16 Rb 0.87500000000000 0.87071126579883 0.87500000000000 85.468 > 9 17 Rb 0.12500000000000 0.12928873420116 0.12500000000000 85.468 > 1 18 Rb 0.37500000000000 0.12928873420116 0.12500000000000 85.468 > 1 19 Rb 0.62500000000000 0.12928873420116 0.12500000000000 85.468 > 1 20 Rb 0.87500000000000 0.12928873420116 0.12500000000000 85.468 > 1 21 Rb 0.12500000000000 0.12928873420116 0.62500000000000 85.468 > 1 22 Rb 0.37500000000000 0.12928873420116 0.62500000000000 85.468 > 1 23 Rb 0.62500000000000 0.12928873420116 0.62500000000000 85.468 > 1 24 Rb 0.87500000000000 0.12928873420116 0.62500000000000 85.468 > 1 25 Rb 0.00000000000000 0.37071126579884 0.37500000000000 85.468 > 9 26 Rb 0.25000000000000 0.37071126579884 0.37500000000000 85.468 > 9 27 Rb 0.50000000000000 0.37071126579884 0.37500000000000 85.468 > 9 28 Rb 0.75000000000000 0.37071126579884 0.37500000000000 85.468 > 9 29 Rb 0.00000000000000 0.37071126579884 0.87500000000000 85.468 > 9 30 Rb 0.25000000000000 0.37071126579884 0.87500000000000 85.468 > 9 31 Rb 0.50000000000000 0.37071126579884 0.87500000000000 85.468 > 9 32 Rb 0.75000000000000 0.37071126579884 0.87500000000000 85.468 > 9 33 Li 0.12500000000000 0.60432460092910 0.37500000000000 6.941 > 33 34 Li 0.37500000000000 0.60432460092910 0.37500000000000 6.941 > 33 35 Li 0.62500000000000 0.60432460092910 0.37500000000000 6.941 > 33 36 Li 0.87500000000000 0.60432460092910 0.37500000000000 6.941 > 33 37 Li 0.12500000000000 0.60432460092910 0.87500000000000 6.941 > 33 38 Li 0.37500000000000 0.60432460092910 0.87500000000000 6.941 > 33 39 Li 0.62500000000000 0.60432460092910 0.87500000000000 6.941 > 33 40 Li 0.87500000000000 0.60432460092910 0.87500000000000 6.941 > 33 41 Li 0.00000000000000 0.89567539907090 0.12500000000000 6.941 > 41 42 Li 0.25000000000000 0.89567539907090 0.12500000000000 6.941 > 41 43 Li 0.50000000000000 0.89567539907090 0.12500000000000 6.941 > 41 44 Li 0.75000000000000 0.89567539907090 0.12500000000000 6.941 > 41 45 Li 0.00000000000000 0.89567539907090 0.62500000000000 6.941 > 41 46 Li 0.25000000000000 0.89567539907090 0.62500000000000 6.941 > 41 47 Li 0.50000000000000 0.89567539907090 0.62500000000000 6.941 > 41 48 Li 0.75000000000000 0.89567539907090 0.62500000000000 6.941 > 41 49 Li 0.00000000000000 0.10432460092910 0.37500000000000 6.941 > 33 50 Li 0.25000000000000 0.10432460092910 0.37500000000000 6.941 > 33 51 Li 0.50000000000000 0.10432460092910 0.37500000000000 6.941 > 33 52 Li 0.75000000000000 0.10432460092910 0.37500000000000 6.941 > 33 53 Li 0.00000000000000 0.10432460092910 0.87500000000000 6.941 > 33 54 Li 0.25000000000000 0.10432460092910 0.87500000000000 6.941 > 33 55 Li 0.50000000000000 0.10432460092910 0.87500000000000 6.941 > 33 56 Li 0.75000000000000 0.10432460092910 0.87500000000000 6.941 > 33 57 Li 0.12500000000000 0.39567539907090 0.12500000000000 6.941 > 41 58 Li 0.37500000000000 0.39567539907090 0.12500000000000 6.941 > 41 59 Li 0.62500000000000 0.39567539907090 0.12500000000000 6.941 > 41 60 Li 0.87500000000000 0.39567539907090 0.12500000000000 6.941 > 41 61 Li 0.12500000000000 0.39567539907090 0.62500000000000 6.941 > 41 62 Li 0.37500000000000 0.39567539907090 0.62500000000000 6.941 > 41 63 Li 0.62500000000000 0.39567539907090 0.62500000000000 6.941 > 41 64 Li 0.87500000000000 0.39567539907090 0.62500000000000 6.941 > 41 65 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 65 66 Cl 0.25000000000000 0.00000000000000 0.00000000000000 35.453 > 65 67 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 65 68 Cl 0.75000000000000 0.00000000000000 0.00000000000000 35.453 > 65 69 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 65 70 Cl 0.25000000000000 0.00000000000000 0.50000000000000 35.453 > 65 71 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 65 72 Cl 0.75000000000000 0.00000000000000 0.50000000000000 35.453 > 65 73 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 73 74 Cl 0.25000000000000 0.00000000000000 0.25000000000000 35.453 > 73 75 Cl 0.50000000000000 0.00000000000000 0.25000000000000 35.453 > 73 76 Cl 0.75000000000000 0.00000000000000 0.25000000000000 35.453 > 73 77 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 73 78 Cl 0.25000000000000 0.00000000000000 0.75000000000000 35.453 > 73 79 Cl 0.50000000000000 0.00000000000000 0.75000000000000 35.453 > 73 80 Cl 0.75000000000000 0.00000000000000 0.75000000000000 35.453 > 73 81 Cl 0.12500000000000 0.81015279377028 0.12500000000000 35.453 > 81 82 Cl 0.37500000000000 0.81015279377028 0.12500000000000 35.453 > 81 83 Cl 0.62500000000000 0.81015279377028 0.12500000000000 35.453 > 81 84 Cl 0.87500000000000 0.81015279377028 0.12500000000000 35.453 > 81 85 Cl 0.12500000000000 0.81015279377028 0.62500000000000 35.453 > 81 86 Cl 0.37500000000000 0.81015279377028 0.62500000000000 35.453 > 81 87 Cl 0.62500000000000 0.81015279377028 0.62500000000000 35.453 > 81 88 Cl 0.87500000000000 0.81015279377028 0.62500000000000 35.453 > 81 89 Cl 0.00000000000000 0.68984720622972 0.37500000000000 35.453 > 89 90 Cl 0.25000000000000 0.68984720622972 0.37500000000000 35.453 > 89 91 Cl 0.50000000000000 0.68984720622972 0.37500000000000 35.453 > 89 92 Cl 0.75000000000000 0.68984720622972 0.37500000000000 35.453 > 89 93 Cl 0.00000000000000 0.68984720622972 0.87500000000000 35.453 > 89 94 Cl 0.25000000000000 0.68984720622972 0.87500000000000 35.453 > 89 95 Cl 0.50000000000000 0.68984720622972 0.87500000000000 35.453 > 89 96 Cl 0.75000000000000 0.68984720622972 0.87500000000000 35.453 > 89 97 Cl 0.12500000000000 0.50000000000000 0.00000000000000 35.453 > 65 98 Cl 0.37500000000000 0.50000000000000 0.00000000000000 35.453 > 65 99 Cl 0.62500000000000 0.50000000000000 0.00000000000000 35.453 > 65 100 Cl 0.87500000000000 0.50000000000000 0.00000000000000 35.453 > 65 101 Cl 0.12500000000000 0.50000000000000 0.50000000000000 35.453 > 65 102 Cl 0.37500000000000 0.50000000000000 0.50000000000000 35.453 > 65 103 Cl 0.62500000000000 0.50000000000000 0.50000000000000 35.453 > 65 104 Cl 0.87500000000000 0.50000000000000 0.50000000000000 35.453 > 65 105 Cl 0.12500000000000 0.50000000000000 0.25000000000000 35.453 > 73 106 Cl 0.37500000000000 0.50000000000000 0.25000000000000 35.453 > 73 107 Cl 0.62500000000000 0.50000000000000 0.25000000000000 35.453 > 73 108 Cl 0.87500000000000 0.50000000000000 0.25000000000000 35.453 > 73 109 Cl 0.12500000000000 0.50000000000000 0.75000000000000 35.453 > 73 110 Cl 0.37500000000000 0.50000000000000 0.75000000000000 35.453 > 73 111 Cl 0.62500000000000 0.50000000000000 0.75000000000000 35.453 > 73 112 Cl 0.87500000000000 0.50000000000000 0.75000000000000 35.453 > 73 113 Cl 0.00000000000000 0.31015279377028 0.12500000000000 35.453 > 81 114 Cl 0.25000000000000 0.31015279377028 0.12500000000000 35.453 > 81 115 Cl 0.50000000000000 0.31015279377028 0.12500000000000 35.453 > 81 116 Cl 0.75000000000000 0.31015279377028 0.12500000000000 35.453 > 81 117 Cl 0.00000000000000 0.31015279377028 0.62500000000000 35.453 > 81 118 Cl 0.25000000000000 0.31015279377028 0.62500000000000 35.453 > 81 119 Cl 0.50000000000000 0.31015279377028 0.62500000000000 35.453 > 81 120 Cl 0.75000000000000 0.31015279377028 0.62500000000000 35.453 > 81 121 Cl 0.12500000000000 0.18984720622972 0.37500000000000 35.453 > 89 122 Cl 0.37500000000000 0.18984720622972 0.37500000000000 35.453 > 89 123 Cl 0.62500000000000 0.18984720622972 0.37500000000000 35.453 > 89 124 Cl 0.87500000000000 0.18984720622972 0.37500000000000 35.453 > 89 125 Cl 0.12500000000000 0.18984720622972 0.87500000000000 35.453 > 89 126 Cl 0.37500000000000 0.18984720622972 0.87500000000000 35.453 > 89 127 Cl 0.62500000000000 0.18984720622972 0.87500000000000 35.453 > 89 128 Cl 0.87500000000000 0.18984720622972 0.87500000000000 35.453 > 89----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5442505 0.0000000 0.0000000 0.0000000 2.5508656 0.0000000 0.0000000 0.0000000 2.5371879-------------------------- Born effective charges -------------------------- 1 Rb 1.1753567 0.0000000 0.0000000 0.0000000 1.2505738 0.0000000 0.0000000 0.0000000 1.2130559 2 Rb 1.1753567 0.0000000 0.0000000 0.0000000 1.2505738 0.0000000 0.0000000 0.0000000 1.2130559 3 Li 1.0555367 0.0000000 0.0000000 0.0000000 0.9960250 0.0000000 0.0000000 0.0000000 0.9639797 4 Li 1.0555367 0.0000000 0.0000000 0.0000000 0.9960250 0.0000000 0.0000000 0.0000000 0.9639797 5 Cl -0.9276762 0.0000000 0.0000000 0.0000000 -1.1119266 0.0914407 0.0000000 0.1057650 -1.2484665 6 Cl -0.9276762 0.0000000 0.0000000 0.0000000 -1.1119266 -0.0914407 0.0000000 -0.1057650 -1.2484665 7 Cl -1.3032171 0.0000000 0.0000000 0.0000000 -1.1346722 0.0000000 0.0000000 0.0000000 -0.9285691 8 Cl -1.3032171 0.0000000 0.0000000 0.0000000 -1.1346722 0.0000000 0.0000000 0.0000000 -0.9285691----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 13 13 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.70, Number of G-points: 285, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/196) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.567 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/196) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( 18.042 -2.077 0.000) 18.161 0.452 ( 25.658 6.864 0.000) 26.561 0.668 ( 9.694 -1.759 0.000) 9.852 0.745 ( 33.419 -17.443 0.000) 37.698 1.598 ( -5.159 0.053 0.000) 5.159 2.033 ( 6.240 0.227 0.000) 6.244 2.234 ( -0.467 2.217 0.000) 2.265 2.466 ( -2.121 3.225 0.000) 3.860 2.842 ( 6.489 0.027 0.000) 6.489 2.936 ( 7.886 1.849 0.000) 8.100 2.991 ( 12.459 5.591 0.000) 13.656 3.184 ( 0.293 -8.856 0.000) 8.861 3.312 ( -1.992 -0.511 0.000) 2.057 3.670 ( -7.718 3.932 0.000) 8.662 3.781 ( -1.672 -1.269 0.000) 2.099 4.048 ( 7.815 -2.753 0.000) 8.286 4.645 ( -2.361 -0.896 0.000) 2.525 5.804 ( -2.791 -6.099 0.000) 6.707 8.950 ( 7.094 0.033 0.000) 7.094 10.261 ( 0.307 -0.017 0.000) 0.308 10.297 ( 20.987 79.450 0.000) 82.176 10.712 ( -1.232 0.019 0.000) 1.232 11.258 ( -19.652 -47.410 0.000) 51.322 11.328 ( -9.267 -17.735 0.000) 20.010======================= Grid point 2 (3/196) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 15.456 -0.588 0.000) 15.468 0.879 ( 24.188 8.331 0.000) 25.583 0.918 ( 14.952 -2.604 0.000) 15.177 1.410 ( 27.270 -15.607 0.000) 31.420 1.471 ( -7.987 -0.053 0.000) 7.987 2.158 ( 6.179 1.794 0.000) 6.434 2.228 ( 2.159 1.918 0.000) 2.888 2.388 ( -3.460 5.720 0.000) 6.685 2.996 ( 9.458 0.061 0.000) 9.459 3.011 ( 0.201 4.823 0.000) 4.827 3.210 ( 10.364 4.778 0.000) 11.413 3.261 ( -3.831 -0.934 0.000) 3.943 3.358 ( 14.546 -3.840 0.000) 15.044 3.581 ( 2.407 -2.996 0.000) 3.843 3.745 ( -3.156 -2.235 0.000) 3.867 4.194 ( 6.286 -2.175 0.000) 6.651 4.595 ( -2.885 0.059 0.000) 2.885 5.779 ( -2.269 -2.823 0.000) 3.622 9.127 ( 11.142 -0.064 0.000) 11.142 10.247 ( 7.380 37.920 0.000) 38.632 10.269 ( 0.560 -0.028 0.000) 0.561 10.681 ( -2.019 0.026 0.000) 2.019 11.109 ( -13.527 -14.320 0.000) 19.699 11.211 ( -12.631 -16.267 0.000) 20.595======================= Grid point 3 (4/196) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 13.069 0.063 0.000) 13.069 1.204 ( 10.136 0.852 0.000) 10.172 1.261 ( 21.750 9.805 0.000) 23.858 1.332 ( -3.018 -2.836 0.000) 4.142 1.871 ( 12.849 -6.306 0.000) 14.313 2.249 ( 7.304 0.713 0.000) 7.339 2.281 ( -4.197 7.022 0.000) 8.181 2.305 ( 4.896 -0.183 0.000) 4.900 2.949 ( -0.995 7.125 0.000) 7.194 3.177 ( 7.258 -0.143 0.000) 7.259 3.181 ( -3.056 -1.034 0.000) 3.227 3.256 ( -2.270 -3.581 0.000) 4.240 3.661 ( 14.046 -2.432 0.000) 14.255 3.689 ( -4.198 -2.696 0.000) 4.989 3.856 ( 20.795 -2.865 0.000) 20.991 4.304 ( 4.794 -0.138 0.000) 4.796 4.554 ( -0.755 0.273 0.000) 0.803 5.757 ( -0.938 -1.121 0.000) 1.462 9.347 ( 11.947 -0.138 0.000) 11.947 10.169 ( 1.827 23.250 0.000) 23.321 10.281 ( 0.705 -0.033 0.000) 0.706 10.641 ( -2.183 0.029 0.000) 2.183 10.919 ( -11.986 -5.253 0.000) 13.087 11.042 ( -13.622 -13.098 0.000) 18.898======================= Grid point 4 (5/196) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -8.170 1.612 0.000) 8.327 1.173 ( 10.507 0.198 0.000) 10.509 1.553 ( 14.276 -2.271 0.000) 14.455 1.579 ( 17.707 11.079 0.000) 20.888 1.948 ( -1.305 5.315 0.000) 5.473 2.164 ( -4.132 6.777 0.000) 7.937 2.306 ( -0.169 3.410 0.000) 3.414 2.486 ( 9.960 -3.407 0.000) 10.527 2.985 ( 7.499 -1.473 0.000) 7.642 3.078 ( -6.208 -1.348 0.000) 6.352 3.225 ( -3.837 -7.072 0.000) 8.046 3.341 ( 7.767 0.029 0.000) 7.767 3.620 ( -4.442 -2.565 0.000) 5.129 3.854 ( 4.990 -0.463 0.000) 5.011 4.244 ( 14.098 -3.602 0.000) 14.551 4.404 ( 10.125 2.358 0.000) 10.396 4.581 ( 3.518 -0.347 0.000) 3.535 5.764 ( 1.644 0.347 0.000) 1.680 9.569 ( 11.810 0.108 0.000) 11.811 10.073 ( -0.858 14.858 0.000) 14.883 10.295 ( 0.695 -0.033 0.000) 0.696 10.602 ( -1.830 0.036 0.000) 1.830 10.730 ( -10.157 -2.217 0.000) 10.396 10.847 ( -13.751 -9.520 0.000) 16.725======================= Grid point 5 (6/196) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( -6.600 1.090 0.000) 6.689 1.338 ( 7.051 0.188 0.000) 7.054 1.727 ( 1.393 13.071 0.000) 13.145 1.804 ( 11.149 -0.693 0.000) 11.170 1.925 ( 6.740 3.668 0.000) 7.673 2.063 ( -3.048 4.822 0.000) 5.705 2.264 ( -2.033 3.124 0.000) 3.727 2.638 ( 5.346 -1.454 0.000) 5.541 2.970 ( -5.774 -1.181 0.000) 5.894 3.173 ( 1.159 -6.339 0.000) 6.444 3.215 ( 6.160 -5.915 0.000) 8.540 3.461 ( 4.852 0.013 0.000) 4.852 3.557 ( -3.410 -1.846 0.000) 3.877 3.867 ( -2.228 1.387 0.000) 2.624 4.351 ( 1.505 0.213 0.000) 1.520 4.660 ( 3.747 -0.756 0.000) 3.823 4.696 ( 15.468 -0.958 0.000) 15.497 5.811 ( 3.368 1.140 0.000) 3.555 9.789 ( 11.857 1.356 0.000) 11.935 9.991 ( -0.716 7.696 0.000) 7.729 10.307 ( 0.513 -0.026 0.000) 0.513 10.571 ( -8.286 -2.260 0.000) 8.589 10.574 ( -1.177 0.036 0.000) 1.177 10.630 ( -13.076 -4.857 0.000) 13.949======================= Grid point 6 (7/196) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( -2.583 0.421 0.000) 2.617 1.428 ( 2.514 0.075 0.000) 2.516 1.635 ( -2.218 5.178 0.000) 5.633 1.952 ( 3.710 0.497 0.000) 3.743 2.011 ( -0.326 1.195 0.000) 1.239 2.074 ( 8.319 2.396 0.000) 8.657 2.193 ( -4.686 0.579 0.000) 4.722 2.712 ( 1.984 -0.384 0.000) 2.021 2.891 ( -2.650 -0.513 0.000) 2.699 3.157 ( -1.629 -2.673 0.000) 3.130 3.401 ( 5.897 -3.311 0.000) 6.763 3.506 ( -0.464 -0.412 0.000) 0.621 3.534 ( 0.794 -0.258 0.000) 0.835 3.798 ( -2.970 1.525 0.000) 3.338 4.362 ( 0.283 0.378 0.000) 0.472 4.711 ( 1.255 -0.380 0.000) 1.311 4.907 ( 5.837 -0.667 0.000) 5.875 5.859 ( 1.737 0.624 0.000) 1.846 9.903 ( 0.902 3.115 0.000) 3.243 10.061 ( 10.395 0.799 0.000) 10.426 10.313 ( 0.189 -0.010 0.000) 0.189 10.376 ( -12.515 -3.343 0.000) 12.954 10.498 ( -2.698 0.080 0.000) 2.699 10.559 ( -0.402 0.016 0.000) 0.402======================= Grid point 14 (8/196) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( 15.887 -0.000 0.000) 15.887 0.904 ( 15.393 -0.000 0.000) 15.393 0.940 ( 24.027 -0.000 0.000) 24.027 1.310 ( 29.958 -0.000 0.000) 29.958 1.470 ( -8.090 0.000 0.000) 8.090 2.166 ( 7.109 -0.000 0.000) 7.109 2.241 ( 0.813 -0.000 0.000) 0.813 2.420 ( -3.637 0.000 0.000) 3.637 2.997 ( 9.455 -0.000 0.000) 9.455 3.032 ( 0.734 -0.000 0.000) 0.734 3.256 ( -3.839 0.000 0.000) 3.839 3.256 ( 9.427 -0.000 0.000) 9.427 3.322 ( 15.521 -0.000 0.000) 15.521 3.563 ( 0.975 -0.000 0.000) 0.975 3.732 ( -3.081 0.000 0.000) 3.081 4.182 ( 6.999 -0.000 0.000) 6.999 4.595 ( -2.730 0.000 0.000) 2.730 5.763 ( -1.295 0.000 0.000) 1.295 9.127 ( 11.112 -0.000 0.000) 11.112 10.269 ( 0.562 -0.000 0.000) 0.562 10.554 ( -4.465 0.000 0.000) 4.465 10.681 ( -2.021 0.000 0.000) 2.021 10.895 ( -6.569 0.000 0.000) 6.569 11.161 ( -9.769 0.000 0.000) 9.769======================= Grid point 15 (9/196) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 13.178 0.023 0.000) 13.178 1.213 ( 15.991 0.546 0.000) 16.001 1.310 ( -8.144 -1.204 0.000) 8.233 1.351 ( 21.504 5.514 0.000) 22.200 1.801 ( 19.084 -4.779 0.000) 19.673 2.269 ( 5.002 2.449 0.000) 5.569 2.293 ( 4.554 -1.832 0.000) 4.908 2.334 ( -4.705 2.587 0.000) 5.370 3.013 ( -1.088 3.723 0.000) 3.879 3.170 ( -5.164 -0.493 0.000) 5.188 3.178 ( 9.350 -0.011 0.000) 9.350 3.225 ( -6.583 -1.805 0.000) 6.826 3.637 ( 15.221 -1.494 0.000) 15.295 3.668 ( -3.990 -1.004 0.000) 4.114 3.835 ( 21.257 -0.932 0.000) 21.277 4.302 ( 5.840 -0.083 0.000) 5.841 4.556 ( -0.892 0.071 0.000) 0.895 5.748 ( -0.175 -0.432 0.000) 0.466 9.346 ( 11.976 -0.050 0.000) 11.976 10.281 ( 0.707 -0.013 0.000) 0.708 10.400 ( -4.511 16.875 0.000) 17.467 10.641 ( -2.183 0.012 0.000) 2.183 10.802 ( -9.274 -12.994 0.000) 15.964 10.966 ( -11.280 -1.983 0.000) 11.453======================= Grid point 16 (10/196) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( -8.691 0.980 0.000) 8.746 1.175 ( 10.527 0.108 0.000) 10.528 1.534 ( 15.449 -1.251 0.000) 15.499 1.681 ( 17.250 7.403 0.000) 18.772 1.991 ( 1.215 2.601 0.000) 2.870 2.222 ( -5.133 3.908 0.000) 6.451 2.328 ( 0.359 0.845 0.000) 0.918 2.455 ( 11.195 -2.179 0.000) 11.405 2.995 ( 3.284 3.087 0.000) 4.508 3.066 ( -6.155 -0.919 0.000) 6.224 3.146 ( -4.286 -7.283 0.000) 8.451 3.342 ( 7.770 0.034 0.000) 7.770 3.598 ( -4.065 -1.501 0.000) 4.333 3.848 ( 6.033 -0.480 0.000) 6.052 4.214 ( 14.825 -2.012 0.000) 14.961 4.425 ( 9.900 1.356 0.000) 9.993 4.578 ( 3.157 -0.280 0.000) 3.169 5.767 ( 2.193 0.184 0.000) 2.200 9.570 ( 12.013 0.043 0.000) 12.013 10.229 ( -4.939 13.343 0.000) 14.228 10.295 ( 0.699 -0.020 0.000) 0.699 10.603 ( -1.829 0.022 0.000) 1.829 10.676 ( -10.046 -8.195 0.000) 12.965 10.772 ( -10.852 -3.289 0.000) 11.340======================= Grid point 17 (11/196) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -6.915 0.772 0.000) 6.958 1.340 ( 7.006 0.128 0.000) 7.007 1.798 ( 11.827 -0.414 0.000) 11.835 1.857 ( -0.803 10.734 0.000) 10.764 1.958 ( 5.937 2.301 0.000) 6.367 2.108 ( -4.666 3.479 0.000) 5.820 2.286 ( -3.667 0.971 0.000) 3.794 2.630 ( 6.438 -0.027 0.000) 6.438 2.958 ( -5.534 -0.970 0.000) 5.618 3.112 ( 2.088 -4.766 0.000) 5.203 3.156 ( 6.912 -4.864 0.000) 8.452 3.461 ( 4.889 0.082 0.000) 4.889 3.539 ( -2.874 -1.399 0.000) 3.196 3.879 ( -1.670 0.848 0.000) 1.873 4.348 ( 2.078 -0.502 0.000) 2.138 4.653 ( 3.847 -0.628 0.000) 3.898 4.691 ( 14.988 -0.056 0.000) 14.988 5.821 ( 3.389 0.773 0.000) 3.476 9.800 ( 12.787 0.671 0.000) 12.804 10.079 ( -4.657 8.163 0.000) 9.398 10.306 ( 0.519 -0.020 0.000) 0.520 10.521 ( -10.830 -6.346 0.000) 12.552 10.574 ( -1.183 0.027 0.000) 1.183 10.600 ( -8.244 -1.079 0.000) 8.315======================= Grid point 18 (12/196) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( -3.006 0.369 0.000) 3.028 1.429 ( 2.433 0.055 0.000) 2.434 1.697 ( -6.894 6.137 0.000) 9.230 1.957 ( 4.285 0.460 0.000) 4.309 2.022 ( -2.667 0.960 0.000) 2.834 2.091 ( 6.041 0.717 0.000) 6.084 2.189 ( -6.644 -1.179 0.000) 6.748 2.710 ( 2.338 0.049 0.000) 2.339 2.886 ( -2.115 -0.452 0.000) 2.163 3.145 ( 2.441 0.509 0.000) 2.493 3.358 ( 8.095 -4.472 0.000) 9.248 3.502 ( -0.237 -0.197 0.000) 0.309 3.531 ( 1.284 -0.353 0.000) 1.331 3.812 ( -3.853 1.170 0.000) 4.026 4.363 ( -0.198 -0.259 0.000) 0.326 4.708 ( 1.652 -0.308 0.000) 1.680 4.902 ( 6.517 -0.188 0.000) 6.520 5.865 ( 1.142 0.497 0.000) 1.245 9.941 ( -2.037 3.846 0.000) 4.352 10.066 ( 9.992 0.061 0.000) 9.992 10.313 ( 0.200 -0.009 0.000) 0.200 10.339 ( -9.849 -3.424 0.000) 10.427 10.499 ( -2.723 0.079 0.000) 2.724 10.559 ( -0.418 0.014 0.000) 0.418======================= Grid point 19 (13/196) =======================q-point: (-0.54 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 2.118 -0.372 0.000) 2.150 1.427 ( -2.600 -0.080 0.000) 2.601 1.589 ( -3.250 -3.228 0.000) 4.581 1.947 ( -3.533 -0.385 0.000) 3.554 1.998 ( -1.655 -1.191 0.000) 2.039 2.040 ( -9.843 -3.864 0.000) 10.574 2.180 ( 2.749 -1.504 0.000) 3.134 2.718 ( -1.199 0.768 0.000) 1.424 2.896 ( 3.155 0.454 0.000) 3.188 3.199 ( 4.549 4.888 0.000) 6.677 3.428 ( -2.921 1.644 0.000) 3.352 3.511 ( 0.567 0.586 0.000) 0.815 3.536 ( -0.147 0.050 0.000) 0.156 3.781 ( 1.625 -1.579 0.000) 2.266 4.355 ( -0.885 -1.029 0.000) 1.357 4.715 ( -0.879 0.357 0.000) 0.949 4.916 ( -4.960 1.059 0.000) 5.072 5.852 ( -2.399 -0.615 0.000) 2.476 9.875 ( -3.786 -2.028 0.000) 4.295 10.051 ( -10.136 -1.115 0.000) 10.197 10.314 ( -0.178 0.009 0.000) 0.178 10.408 ( 14.466 2.615 0.000) 14.701 10.497 ( 2.636 -0.060 0.000) 2.637 10.558 ( 0.385 -0.013 0.000) 0.386======================= Grid point 20 (14/196) =======================q-point: (-0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 6.222 -1.159 0.000) 6.329 1.336 ( -7.107 -0.210 0.000) 7.110 1.586 ( -4.198 -12.768 0.000) 13.440 1.813 ( -10.183 1.008 0.000) 10.233 1.882 ( -7.373 -4.233 0.000) 8.502 2.008 ( 1.056 -5.196 0.000) 5.303 2.225 ( 0.683 -3.849 0.000) 3.909 2.659 ( -4.344 2.250 0.000) 4.893 2.982 ( 5.967 1.067 0.000) 6.061 3.243 ( -1.000 6.496 0.000) 6.573 3.278 ( -5.049 5.605 0.000) 7.544 3.461 ( -4.880 0.052 0.000) 4.880 3.577 ( 4.096 1.859 0.000) 4.498 3.850 ( 2.926 -1.813 0.000) 3.442 4.342 ( -1.244 -1.356 0.000) 1.840 4.667 ( -4.203 0.513 0.000) 4.234 4.713 ( -15.035 2.204 0.000) 15.196 5.798 ( -3.345 -1.284 0.000) 3.583 9.770 ( -10.145 -2.297 0.000) 10.402 9.920 ( -3.597 -5.364 0.000) 6.458 10.307 ( -0.505 0.026 0.000) 0.505 10.573 ( 1.171 -0.036 0.000) 1.171 10.583 ( 7.190 0.533 0.000) 7.210 10.687 ( 15.937 5.138 0.000) 16.745======================= Grid point 21 (15/196) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 7.739 -1.767 0.000) 7.938 1.171 ( -10.490 -0.250 0.000) 10.493 1.455 ( -16.137 -11.435 0.000) 19.778 1.581 ( -12.794 3.018 0.000) 13.146 1.880 ( 1.823 -7.164 0.000) 7.392 2.082 ( 2.718 -8.212 0.000) 8.650 2.257 ( 0.260 -5.316 0.000) 5.322 2.524 ( -8.776 3.607 0.000) 9.488 3.023 ( -10.611 5.186 0.000) 11.810 3.093 ( 6.220 1.285 0.000) 6.351 3.294 ( 2.842 5.712 0.000) 6.380 3.341 ( -7.773 0.002 0.000) 7.773 3.651 ( 4.939 2.949 0.000) 5.753 3.857 ( -3.911 0.086 0.000) 3.912 4.286 ( -10.983 3.903 0.000) 11.656 4.378 ( -12.441 -2.314 0.000) 12.655 4.584 ( -4.096 0.101 0.000) 4.097 5.760 ( -0.865 -0.455 0.000) 0.977 9.567 ( -11.441 -0.207 0.000) 11.443 9.922 ( -2.797 -13.071 0.000) 13.366 10.295 ( -0.691 0.037 0.000) 0.692 10.602 ( 1.832 -0.038 0.000) 1.832 10.745 ( 10.440 1.092 0.000) 10.497 10.946 ( 15.670 8.509 0.000) 17.831======================= Grid point 22 (16/196) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( -12.882 -0.087 0.000) 12.882 1.164 ( -19.726 -7.584 0.000) 21.134 1.197 ( -4.213 -0.392 0.000) 4.232 1.368 ( -1.540 3.693 0.000) 4.001 1.906 ( -4.373 -0.437 0.000) 4.395 2.189 ( 3.304 -9.811 0.000) 10.353 2.256 ( -6.577 0.789 0.000) 6.624 2.301 ( -8.504 0.239 0.000) 8.508 2.882 ( -2.933 -4.514 0.000) 5.383 3.177 ( -9.497 -0.016 0.000) 9.497 3.195 ( 5.244 1.292 0.000) 5.400 3.294 ( -0.912 3.211 0.000) 3.338 3.682 ( -13.807 1.299 0.000) 13.868 3.723 ( 4.529 3.595 0.000) 5.782 3.895 ( -20.036 4.271 0.000) 20.486 4.304 ( -3.064 -0.011 0.000) 3.064 4.549 ( 0.500 -0.640 0.000) 0.812 5.771 ( 2.110 1.396 0.000) 2.530 9.349 ( -11.896 0.202 0.000) 11.898 9.929 ( -6.799 -20.903 0.000) 21.981 10.282 ( -0.702 0.043 0.000) 0.703 10.640 ( 2.184 -0.033 0.000) 2.184 10.952 ( 12.311 2.188 0.000) 12.504 11.188 ( 16.497 12.581 0.000) 20.747======================= Grid point 23 (17/196) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.693 ( -14.519 0.802 0.000) 14.541 0.813 ( -20.504 -2.673 0.000) 20.678 0.960 ( -13.521 5.240 0.000) 14.501 1.471 ( 7.672 0.025 0.000) 7.672 1.596 ( -22.443 17.769 0.000) 28.625 2.125 ( -4.575 -3.997 0.000) 6.075 2.210 ( -4.759 -1.293 0.000) 4.931 2.303 ( 2.975 -9.949 0.000) 10.384 2.922 ( -0.368 -10.966 0.000) 10.972 2.996 ( -9.464 -0.064 0.000) 9.465 3.181 ( -11.278 -1.151 0.000) 11.337 3.273 ( 3.798 1.249 0.000) 3.999 3.388 ( -13.769 1.627 0.000) 13.865 3.619 ( -5.422 3.782 0.000) 6.611 3.778 ( 3.343 3.742 0.000) 5.018 4.225 ( -4.472 3.393 0.000) 5.613 4.592 ( 3.141 -0.414 0.000) 3.168 5.816 ( 4.116 3.819 0.000) 5.615 9.128 ( -11.243 0.082 0.000) 11.243 9.864 ( -16.348 -32.113 0.000) 36.034 10.270 ( -0.557 0.046 0.000) 0.559 10.681 ( 2.013 -0.037 0.000) 2.014 11.166 ( 11.528 3.042 0.000) 11.922 11.441 ( 20.096 19.229 0.000) 27.814======================= Grid point 24 (18/196) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.400 ( -15.169 4.159 0.000) 15.729 0.446 ( -15.741 8.130 0.000) 17.717 0.708 ( -9.291 5.771 0.000) 10.938 0.989 ( -28.100 25.554 0.000) 37.982 1.596 ( 5.124 -0.197 0.000) 5.128 2.028 ( -6.170 -0.900 0.000) 6.235 2.197 ( 0.729 -4.205 0.000) 4.267 2.400 ( 1.909 -8.759 0.000) 8.965 2.842 ( -6.456 -0.043 0.000) 6.457 2.883 ( -8.278 -7.987 0.000) 11.503 2.947 ( -12.178 -1.958 0.000) 12.335 3.273 ( 3.702 5.256 0.000) 6.429 3.321 ( 1.980 1.126 0.000) 2.278 3.606 ( 0.937 -6.640 0.000) 6.706 3.806 ( 1.743 3.362 0.000) 3.787 4.103 ( -5.486 7.112 0.000) 8.982 4.654 ( 3.266 0.474 0.000) 3.301 5.892 ( 8.331 8.170 0.000) 11.668 8.950 ( -7.190 -0.162 0.000) 7.192 9.581 ( -41.758 -49.260 0.000) 64.578 10.261 ( -0.305 0.044 0.000) 0.309 10.712 ( 1.227 -0.046 0.000) 1.228 11.326 ( 6.725 2.851 0.000) 7.305 11.776 ( 31.627 28.486 0.000) 42.564======================= Grid point 25 (19/196) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.145 ( 0.000 12.590 0.000) 12.590 0.274 ( 0.000 25.371 0.000) 25.371 0.389 ( 0.000 36.120 0.000) 36.120 0.587 ( 0.000 4.029 0.000) 4.029 1.648 ( -0.000 -0.139 0.000) 0.139 1.966 ( -0.000 -0.568 0.000) 0.568 2.234 ( -0.000 -2.540 0.000) 2.540 2.460 ( -0.000 -6.424 0.000) 6.424 2.777 ( 0.000 0.016 0.000) 0.016 2.783 ( -0.000 -1.709 0.000) 1.709 2.838 ( -0.000 -2.665 0.000) 2.665 3.335 ( 0.000 0.895 0.000) 0.895 3.419 ( 0.000 1.764 0.000) 1.764 3.634 ( -0.000 -16.118 0.000) 16.118 3.807 ( 0.000 2.486 0.000) 2.486 3.960 ( 0.000 13.935 0.000) 13.935 4.705 ( -0.000 -0.642 0.000) 0.642 6.104 ( -0.000 -0.842 0.000) 0.842 8.744 ( 0.000 0.095 0.000) 0.095 8.881 ( 0.000 0.002 0.000) 0.002 10.258 ( 0.000 0.034 0.000) 0.034 10.724 ( -0.000 -0.039 0.000) 0.039 11.377 ( 0.000 2.111 0.000) 2.111 12.295 ( -0.000 -1.767 0.000) 1.767======================= Grid point 28 (20/196) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -8.937 0.000 0.000) 8.937 1.175 ( 10.538 -0.000 0.000) 10.538 1.527 ( 15.911 -0.000 0.000) 15.911 1.723 ( 16.432 -0.000 0.000) 16.432 2.005 ( 3.174 -0.000 0.000) 3.174 2.244 ( -5.502 0.000 0.000) 5.502 2.331 ( 0.376 -0.000 0.000) 0.376 2.443 ( 11.741 -0.000 0.000) 11.741 3.029 ( 1.908 -0.000 0.000) 1.908 3.060 ( -6.122 0.000 0.000) 6.122 3.090 ( -4.989 0.000 0.000) 4.989 3.342 ( 7.773 -0.000 0.000) 7.773 3.590 ( -3.925 0.000 0.000) 3.925 3.845 ( 6.497 -0.000 0.000) 6.497 4.203 ( 14.951 -0.000 0.000) 14.951 4.432 ( 9.944 -0.000 0.000) 9.944 4.576 ( 3.023 -0.000 0.000) 3.023 5.768 ( 2.390 -0.000 0.000) 2.390 9.570 ( 12.079 -0.000 0.000) 12.079 10.294 ( 0.700 -0.000 0.000) 0.700 10.317 ( -7.801 0.000 0.000) 7.801 10.603 ( -1.829 0.000 0.000) 1.829 10.612 ( -8.310 0.000 0.000) 8.310 10.758 ( -10.127 0.000 0.000) 10.127======================= Grid point 29 (21/196) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -7.094 0.278 0.000) 7.099 1.341 ( 6.981 0.045 0.000) 6.981 1.795 ( 12.180 -0.139 0.000) 12.181 1.945 ( -2.296 5.182 0.000) 5.668 1.972 ( 5.684 0.080 0.000) 5.685 2.134 ( -5.597 1.278 0.000) 5.741 2.288 ( -4.839 -0.302 0.000) 4.849 2.633 ( 7.052 0.378 0.000) 7.062 2.951 ( -5.353 -0.383 0.000) 5.367 3.076 ( 3.229 -1.796 0.000) 3.694 3.117 ( 7.096 -1.979 0.000) 7.366 3.462 ( 4.972 0.057 0.000) 4.973 3.528 ( -2.624 -0.535 0.000) 2.678 3.885 ( -1.344 0.284 0.000) 1.373 4.343 ( 2.519 -0.310 0.000) 2.538 4.648 ( 3.865 -0.214 0.000) 3.871 4.692 ( 14.628 0.072 0.000) 14.628 5.827 ( 3.402 0.272 0.000) 3.413 9.804 ( 13.160 0.203 0.000) 13.162 10.152 ( -7.856 4.373 0.000) 8.991 10.306 ( 0.523 -0.007 0.000) 0.524 10.460 ( -9.446 -3.883 0.000) 10.213 10.574 ( -1.187 0.010 0.000) 1.187 10.595 ( -7.227 -0.176 0.000) 7.229======================= Grid point 30 (22/196) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( -3.296 0.216 0.000) 3.303 1.429 ( 2.375 0.028 0.000) 2.376 1.758 ( -10.176 4.776 0.000) 11.241 1.961 ( 4.907 0.275 0.000) 4.914 2.031 ( -4.584 0.534 0.000) 4.615 2.090 ( 3.086 -0.648 0.000) 3.154 2.173 ( -6.777 -1.433 0.000) 6.927 2.712 ( 2.248 0.141 0.000) 2.253 2.882 ( -1.695 -0.267 0.000) 1.716 3.165 ( 5.976 2.755 0.000) 6.580 3.309 ( 9.370 -4.502 0.000) 10.395 3.501 ( -0.041 -0.041 0.000) 0.058 3.527 ( 1.601 -0.267 0.000) 1.623 3.822 ( -4.325 0.641 0.000) 4.372 4.359 ( -0.479 -0.380 0.000) 0.611 4.705 ( 1.951 -0.166 0.000) 1.958 4.902 ( 6.909 0.034 0.000) 6.909 5.869 ( 0.733 0.274 0.000) 0.782 9.982 ( -5.102 3.513 0.000) 6.195 10.062 ( 9.569 -0.907 0.000) 9.612 10.307 ( -6.854 -2.328 0.000) 7.239 10.313 ( 0.207 -0.006 0.000) 0.207 10.500 ( -2.729 0.049 0.000) 2.730 10.559 ( -0.429 0.009 0.000) 0.429======================= Grid point 31 (23/196) =======================q-point: (-0.62 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 1.720 -0.248 0.000) 1.738 1.427 ( -2.671 -0.062 0.000) 2.671 1.565 ( -8.507 -1.332 0.000) 8.611 1.944 ( -3.814 -0.195 0.000) 3.819 1.986 ( -2.822 -0.914 0.000) 2.966 1.996 ( -10.063 -3.886 0.000) 10.788 2.165 ( 1.376 -1.208 0.000) 1.831 2.727 ( -0.427 0.724 0.000) 0.840 2.900 ( 3.530 0.307 0.000) 3.544 3.255 ( 5.678 5.209 0.000) 7.705 3.435 ( 0.496 -0.203 0.000) 0.536 3.518 ( 0.346 0.646 0.000) 0.733 3.535 ( 0.686 -0.192 0.000) 0.712 3.766 ( 0.010 -1.178 0.000) 1.178 4.342 ( -1.438 -1.118 0.000) 1.821 4.719 ( -0.606 0.256 0.000) 0.658 4.928 ( -4.133 0.984 0.000) 4.248 5.846 ( -2.973 -0.454 0.000) 3.008 9.859 ( -6.238 -1.018 0.000) 6.321 10.039 ( -9.480 -0.971 0.000) 9.530 10.314 ( -0.169 0.005 0.000) 0.169 10.431 ( 15.760 1.622 0.000) 15.844 10.497 ( 2.533 -0.033 0.000) 2.534 10.558 ( 0.372 -0.009 0.000) 0.372======================= Grid point 32 (24/196) =======================q-point: (-0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( 5.867 -0.963 0.000) 5.946 1.334 ( -7.161 -0.181 0.000) 7.164 1.461 ( -6.987 -10.217 0.000) 12.378 1.826 ( -8.971 1.428 0.000) 9.084 1.839 ( -7.728 -3.732 0.000) 8.582 1.954 ( -1.047 -4.776 0.000) 4.890 2.186 ( -0.239 -3.176 0.000) 3.185 2.683 ( -3.667 2.075 0.000) 4.213 2.992 ( 6.083 0.770 0.000) 6.131 3.308 ( -1.369 5.457 0.000) 5.627 3.332 ( -4.063 4.330 0.000) 5.938 3.462 ( -4.933 0.070 0.000) 4.933 3.595 ( 4.736 1.484 0.000) 4.963 3.830 ( 3.702 -1.895 0.000) 4.158 4.324 ( -1.359 -1.907 0.000) 2.342 4.672 ( -4.536 0.377 0.000) 4.551 4.739 ( -14.378 2.455 0.000) 14.586 5.784 ( -3.326 -1.132 0.000) 3.514 9.742 ( -8.410 -2.696 0.000) 8.831 9.877 ( -7.329 -2.767 0.000) 7.834 10.307 ( -0.498 0.020 0.000) 0.498 10.573 ( 1.166 -0.027 0.000) 1.166 10.587 ( 7.251 0.264 0.000) 7.255 10.735 ( 17.122 3.597 0.000) 17.496======================= Grid point 33 (25/196) =======================q-point: (-0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 7.574 -1.513 0.000) 7.723 1.168 ( -10.481 -0.248 0.000) 10.484 1.342 ( -12.567 -9.497 0.000) 15.752 1.617 ( -11.296 3.565 0.000) 11.845 1.800 ( 0.414 -7.500 0.000) 7.511 1.992 ( 1.120 -8.293 0.000) 8.368 2.199 ( -0.424 -5.119 0.000) 5.136 2.561 ( -8.098 3.083 0.000) 8.665 3.087 ( -11.646 6.380 0.000) 13.279 3.105 ( 6.192 0.973 0.000) 6.268 3.341 ( -7.786 0.024 0.000) 7.786 3.345 ( 1.450 3.794 0.000) 4.062 3.681 ( 5.421 2.645 0.000) 6.032 3.856 ( -2.999 -0.240 0.000) 3.009 4.310 ( -1.617 -0.410 0.000) 1.668 4.372 ( -20.809 2.109 0.000) 20.916 4.582 ( -4.905 -0.417 0.000) 4.923 5.755 ( -0.028 -0.467 0.000) 0.468 9.565 ( -10.835 -0.335 0.000) 10.840 9.798 ( -5.878 -9.864 0.000) 11.482 10.296 ( -0.687 0.032 0.000) 0.688 10.601 ( 1.836 -0.031 0.000) 1.837 10.756 ( 10.912 0.902 0.000) 10.949 11.025 ( 16.683 6.034 0.000) 17.741======================= Grid point 34 (26/196) =======================q-point: (-0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( -12.667 -0.090 0.000) 12.668 1.109 ( -14.876 -2.385 0.000) 15.066 1.196 ( 0.789 0.212 0.000) 0.817 1.411 ( -4.746 4.276 0.000) 6.388 1.865 ( 0.353 -6.533 0.000) 6.543 2.077 ( 2.183 -10.832 0.000) 11.050 2.226 ( -0.589 -5.448 0.000) 5.480 2.337 ( -13.430 5.003 0.000) 14.332 2.864 ( -8.298 1.260 0.000) 8.393 3.177 ( -9.563 -0.007 0.000) 9.563 3.207 ( 5.228 1.046 0.000) 5.332 3.320 ( -3.362 1.510 0.000) 3.686 3.690 ( -14.275 0.262 0.000) 14.277 3.762 ( 4.872 3.573 0.000) 6.042 3.943 ( -19.565 4.563 0.000) 20.090 4.303 ( -1.205 -0.212 0.000) 1.223 4.540 ( 0.245 -1.132 0.000) 1.158 5.785 ( 3.248 1.258 0.000) 3.483 9.351 ( -11.844 0.263 0.000) 11.847 9.728 ( -9.902 -16.345 0.000) 19.110 10.282 ( -0.699 0.040 0.000) 0.700 10.640 ( 2.187 -0.026 0.000) 2.187 10.975 ( 12.976 2.061 0.000) 13.139 11.302 ( 17.457 8.555 0.000) 19.440======================= Grid point 35 (27/196) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( -13.640 0.691 0.000) 13.657 0.834 ( -12.614 6.708 0.000) 14.286 1.030 ( -11.088 7.615 0.000) 13.451 1.470 ( 7.107 -0.196 0.000) 7.109 1.764 ( -14.398 12.141 0.000) 18.833 2.088 ( -6.803 -1.771 0.000) 7.029 2.182 ( 2.276 -12.184 0.000) 12.395 2.195 ( -5.196 -1.883 0.000) 5.527 2.801 ( -2.335 -10.428 0.000) 10.686 2.995 ( -9.467 -0.036 0.000) 9.467 3.170 ( -12.454 -1.285 0.000) 12.520 3.286 ( 3.743 1.082 0.000) 3.896 3.391 ( -14.613 -0.970 0.000) 14.645 3.660 ( -7.941 3.706 0.000) 8.763 3.821 ( 3.562 4.176 0.000) 5.489 4.263 ( -2.147 3.544 0.000) 4.144 4.586 ( 3.336 -0.844 0.000) 3.441 5.855 ( 5.331 3.149 0.000) 6.192 9.128 ( -11.462 0.002 0.000) 11.462 9.571 ( -19.068 -22.571 0.000) 29.547 10.270 ( -0.554 0.048 0.000) 0.556 10.680 ( 2.008 -0.031 0.000) 2.009 11.200 ( 12.068 3.371 0.000) 12.530 11.600 ( 20.407 10.843 0.000) 23.109======================= Grid point 36 (28/196) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.442 ( -12.365 3.401 0.000) 12.824 0.606 ( -2.545 19.657 0.000) 19.821 0.793 ( -8.120 9.996 0.000) 12.879 1.270 ( -23.267 26.274 0.000) 35.095 1.593 ( 5.057 -0.486 0.000) 5.080 2.013 ( -5.609 -2.022 0.000) 5.962 2.149 ( 0.325 -4.593 0.000) 4.605 2.285 ( 1.549 -12.293 0.000) 12.390 2.782 ( -6.763 -10.547 0.000) 12.529 2.841 ( -6.415 -0.021 0.000) 6.415 2.933 ( -11.536 -0.958 0.000) 11.576 3.276 ( 1.782 -4.848 0.000) 5.165 3.334 ( 1.953 1.124 0.000) 2.253 3.555 ( -4.530 -2.144 0.000) 5.011 3.849 ( 1.848 4.381 0.000) 4.754 4.188 ( -2.356 8.228 0.000) 8.559 4.654 ( 3.229 -0.459 0.000) 3.262 5.958 ( 8.352 4.183 0.000) 9.342 8.946 ( -7.582 -0.599 0.000) 7.605 9.211 ( -33.396 -22.711 0.000) 40.387 10.262 ( -0.303 0.055 0.000) 0.308 10.712 ( 1.220 -0.048 0.000) 1.221 11.364 ( 7.088 4.187 0.000) 8.233 11.962 ( 23.860 9.105 0.000) 25.538======================= Grid point 37 (29/196) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.261 ( 0.000 8.762 0.000) 8.762 0.542 ( 0.000 24.668 0.000) 24.668 0.657 ( 0.000 9.090 0.000) 9.090 0.773 ( 0.000 35.332 0.000) 35.332 1.645 ( -0.000 -0.358 0.000) 0.358 1.956 ( -0.000 -1.232 0.000) 1.232 2.194 ( -0.000 -4.675 0.000) 4.675 2.364 ( -0.000 -11.144 0.000) 11.144 2.739 ( -0.000 -6.724 0.000) 6.724 2.777 ( 0.000 0.029 0.000) 0.029 2.817 ( -0.000 -0.891 0.000) 0.891 3.346 ( 0.000 1.159 0.000) 1.159 3.444 ( 0.000 2.653 0.000) 2.653 3.457 ( -0.000 -17.069 0.000) 17.069 3.843 ( 0.000 4.116 0.000) 4.116 4.101 ( 0.000 12.283 0.000) 12.283 4.696 ( -0.000 -1.016 0.000) 1.016 6.091 ( -0.000 -1.516 0.000) 1.516 8.745 ( 0.000 0.169 0.000) 0.169 8.881 ( 0.000 0.002 0.000) 0.002 10.258 ( 0.000 0.055 0.000) 0.055 10.724 ( -0.000 -0.057 0.000) 0.057 11.409 ( 0.000 3.958 0.000) 3.958 12.267 ( -0.000 -3.355 0.000) 3.355======================= Grid point 42 (30/196) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( -3.399 0.000 0.000) 3.399 1.429 ( 2.354 -0.000 0.000) 2.354 1.786 ( -11.452 0.000 0.000) 11.452 1.963 ( 5.173 -0.000 0.000) 5.173 2.034 ( -5.327 0.000 0.000) 5.327 2.084 ( 1.180 -0.000 0.000) 1.180 2.165 ( -5.859 0.000 0.000) 5.859 2.712 ( 2.150 -0.000 0.000) 2.150 2.880 ( -1.535 0.000 0.000) 1.535 3.187 ( 7.361 -0.000 0.000) 7.361 3.278 ( 9.752 -0.000 0.000) 9.752 3.501 ( 0.030 -0.000 0.000) 0.030 3.526 ( 1.717 -0.000 0.000) 1.717 3.826 ( -4.470 0.000 0.000) 4.470 4.357 ( -0.568 0.000 0.000) 0.568 4.704 ( 2.061 -0.000 0.000) 2.061 4.902 ( 7.033 -0.000 0.000) 7.033 5.870 ( 0.588 -0.000 0.000) 0.588 10.005 ( -8.446 0.000 0.000) 8.446 10.053 ( 11.200 -0.000 0.000) 11.200 10.294 ( -5.323 0.000 0.000) 5.323 10.313 ( 0.210 -0.000 0.000) 0.210 10.500 ( -2.730 0.000 0.000) 2.730 10.559 ( -0.433 0.000 0.000) 0.433======================= Grid point 43 (31/196) =======================q-point: (-0.69 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 1.491 -0.086 0.000) 1.493 1.426 ( -2.710 -0.023 0.000) 2.710 1.558 ( -11.969 -0.256 0.000) 11.972 1.943 ( -4.223 -0.045 0.000) 4.223 1.965 ( -9.535 -1.671 0.000) 9.680 1.979 ( -3.212 -0.354 0.000) 3.231 2.156 ( 0.649 -0.435 0.000) 0.781 2.732 ( 0.019 0.289 0.000) 0.290 2.903 ( 3.727 0.108 0.000) 3.729 3.301 ( 5.369 2.673 0.000) 5.998 3.427 ( 3.368 -0.817 0.000) 3.466 3.524 ( -0.765 0.479 0.000) 0.903 3.532 ( 2.139 -0.315 0.000) 2.162 3.757 ( -1.179 -0.423 0.000) 1.253 4.333 ( -1.767 -0.482 0.000) 1.831 4.721 ( -0.465 0.094 0.000) 0.474 4.935 ( -3.633 0.399 0.000) 3.655 5.843 ( -3.310 -0.168 0.000) 3.314 9.852 ( -7.709 -0.288 0.000) 7.714 10.031 ( -8.924 -0.389 0.000) 8.932 10.314 ( -0.164 0.002 0.000) 0.164 10.443 ( 16.433 0.546 0.000) 16.442 10.497 ( 2.436 -0.011 0.000) 2.436 10.558 ( 0.365 -0.003 0.000) 0.365======================= Grid point 44 (32/196) =======================q-point: (-0.62 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 5.615 -0.545 0.000) 5.641 1.332 ( -7.201 -0.106 0.000) 7.202 1.374 ( -9.096 -5.724 0.000) 10.747 1.806 ( -7.861 -2.186 0.000) 8.160 1.844 ( -7.613 2.017 0.000) 7.875 1.908 ( -3.004 -3.866 0.000) 4.896 2.159 ( -0.795 -1.745 0.000) 1.918 2.701 ( -3.285 1.211 0.000) 3.501 2.999 ( 6.138 0.397 0.000) 6.151 3.356 ( -1.554 3.337 0.000) 3.681 3.368 ( -3.786 2.248 0.000) 4.403 3.462 ( -4.977 0.046 0.000) 4.977 3.608 ( 5.177 0.819 0.000) 5.242 3.812 ( 4.411 -1.303 0.000) 4.599 4.305 ( -1.573 -1.358 0.000) 2.078 4.675 ( -4.561 0.224 0.000) 4.567 4.761 ( -14.006 1.564 0.000) 14.093 5.775 ( -3.314 -0.670 0.000) 3.381 9.717 ( -7.744 -1.740 0.000) 7.937 9.858 ( -9.252 -1.088 0.000) 9.316 10.307 ( -0.493 0.011 0.000) 0.494 10.573 ( 1.163 -0.015 0.000) 1.163 10.589 ( 7.388 0.132 0.000) 7.389 10.764 ( 17.729 1.811 0.000) 17.821======================= Grid point 45 (33/196) =======================q-point: (-0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 7.622 -0.992 0.000) 7.686 1.165 ( -10.479 -0.184 0.000) 10.481 1.257 ( -8.018 -6.108 0.000) 10.080 1.657 ( -10.006 3.794 0.000) 10.702 1.727 ( -2.122 -5.817 0.000) 6.192 1.909 ( -0.361 -7.081 0.000) 7.090 2.152 ( -1.193 -3.492 0.000) 3.690 2.589 ( -7.836 2.064 0.000) 8.103 3.113 ( 6.153 0.589 0.000) 6.181 3.152 ( -11.466 5.277 0.000) 12.622 3.342 ( -7.799 0.025 0.000) 7.799 3.375 ( -0.051 1.770 0.000) 1.771 3.706 ( 5.786 1.804 0.000) 6.060 3.853 ( -2.271 -0.297 0.000) 2.290 4.292 ( -0.919 -1.992 0.000) 2.194 4.408 ( -20.554 3.604 0.000) 20.867 4.575 ( -5.747 -0.911 0.000) 5.819 5.751 ( 0.676 -0.355 0.000) 0.764 9.560 ( -9.925 -0.440 0.000) 9.934 9.713 ( -8.411 -5.935 0.000) 10.294 10.296 ( -0.685 0.021 0.000) 0.685 10.601 ( 1.842 -0.019 0.000) 1.842 10.764 ( 11.353 0.655 0.000) 11.372 11.076 ( 17.154 3.514 0.000) 17.510======================= Grid point 46 (34/196) =======================q-point: (-0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -12.482 -0.074 0.000) 12.482 1.114 ( -7.990 3.004 0.000) 8.536 1.201 ( 4.776 0.558 0.000) 4.809 1.459 ( -6.869 4.608 0.000) 8.272 1.777 ( 1.640 -9.464 0.000) 9.605 1.963 ( 1.042 -10.083 0.000) 10.137 2.162 ( -0.449 -5.828 0.000) 5.846 2.385 ( -12.183 3.699 0.000) 12.732 2.902 ( -11.425 5.091 0.000) 12.508 3.177 ( -9.569 0.007 0.000) 9.569 3.217 ( 5.157 0.691 0.000) 5.203 3.325 ( -5.649 -0.476 0.000) 5.669 3.690 ( -14.867 -0.154 0.000) 14.868 3.797 ( 5.147 2.790 0.000) 5.855 3.989 ( -19.474 3.890 0.000) 19.858 4.300 ( 0.274 -0.259 0.000) 0.377 4.526 ( 0.185 -1.425 0.000) 1.437 5.797 ( 4.079 0.880 0.000) 4.173 9.355 ( -11.823 0.371 0.000) 11.829 9.580 ( -11.474 -11.162 0.000) 16.008 10.283 ( -0.698 0.030 0.000) 0.698 10.640 ( 2.193 -0.014 0.000) 2.193 10.996 ( 13.704 1.790 0.000) 13.820 11.374 ( 17.422 5.005 0.000) 18.126======================= Grid point 47 (35/196) =======================q-point: (-0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( -13.031 0.479 0.000) 13.040 0.947 ( -4.284 13.691 0.000) 14.346 1.121 ( -7.953 9.319 0.000) 12.252 1.465 ( 6.138 -0.842 0.000) 6.196 1.822 ( -2.883 -1.599 0.000) 3.297 2.049 ( 1.488 -12.361 0.000) 12.451 2.111 ( -12.291 5.585 0.000) 13.501 2.164 ( -3.713 -3.891 0.000) 5.378 2.719 ( -6.569 -4.119 0.000) 7.753 2.995 ( -9.468 -0.011 0.000) 9.468 3.148 ( -13.524 -3.075 0.000) 13.870 3.296 ( 3.684 0.761 0.000) 3.762 3.371 ( -17.134 -2.449 0.000) 17.308 3.697 ( -9.653 3.066 0.000) 10.128 3.864 ( 3.749 3.634 0.000) 5.222 4.298 ( 0.145 2.963 0.000) 2.966 4.575 ( 3.568 -1.015 0.000) 3.709 5.882 ( 5.643 1.947 0.000) 5.969 9.127 ( -11.944 -0.252 0.000) 11.946 9.376 ( -18.174 -14.033 0.000) 22.961 10.271 ( -0.551 0.038 0.000) 0.553 10.680 ( 2.006 -0.015 0.000) 2.006 11.237 ( 12.938 3.435 0.000) 13.387 11.683 ( 18.720 5.139 0.000) 19.413======================= Grid point 48 (36/196) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( -10.781 2.096 0.000) 10.983 0.837 ( 3.550 22.525 0.000) 22.803 0.917 ( -6.343 12.871 0.000) 14.349 1.542 ( -17.275 23.608 0.000) 29.253 1.585 ( 4.953 -1.155 0.000) 5.086 1.984 ( -4.514 -2.986 0.000) 5.412 2.102 ( -1.595 -4.119 0.000) 4.417 2.144 ( 1.111 -13.635 0.000) 13.680 2.666 ( -5.403 -10.553 0.000) 11.855 2.841 ( -6.383 0.001 0.000) 6.383 2.922 ( -10.634 -1.320 0.000) 10.715 3.185 ( -4.370 -11.030 0.000) 11.864 3.345 ( 1.920 0.847 0.000) 2.099 3.553 ( -5.612 1.063 0.000) 5.711 3.896 ( 1.947 4.247 0.000) 4.671 4.272 ( -0.056 7.223 0.000) 7.223 4.647 ( 3.124 -0.734 0.000) 3.209 5.986 ( 6.394 1.320 0.000) 6.529 8.933 ( -9.441 -2.146 0.000) 9.682 9.048 ( -21.973 -8.956 0.000) 23.728 10.262 ( -0.300 0.048 0.000) 0.304 10.711 ( 1.213 -0.031 0.000) 1.214 11.414 ( 7.714 4.953 0.000) 9.167 12.012 ( 17.408 1.411 0.000) 17.465======================= Grid point 49 (37/196) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.333 ( 0.000 4.835 0.000) 4.835 0.780 ( 0.000 13.386 0.000) 13.386 0.801 ( 0.000 23.376 0.000) 23.376 1.144 ( 0.000 33.874 0.000) 33.874 1.640 ( -0.000 -0.814 0.000) 0.814 1.938 ( -0.000 -2.153 0.000) 2.153 2.137 ( -0.000 -5.852 0.000) 5.852 2.229 ( -0.000 -13.653 0.000) 13.653 2.650 ( -0.000 -9.297 0.000) 9.297 2.778 ( 0.000 0.035 0.000) 0.035 2.813 ( -0.000 -0.051 0.000) 0.051 3.267 ( -0.000 -18.265 0.000) 18.265 3.358 ( 0.000 0.970 0.000) 0.970 3.473 ( 0.000 2.664 0.000) 2.664 3.891 ( 0.000 4.531 0.000) 4.531 4.222 ( 0.000 10.153 0.000) 10.153 4.685 ( -0.000 -1.015 0.000) 1.015 6.072 ( -0.000 -1.873 0.000) 1.873 8.747 ( 0.000 0.205 0.000) 0.205 8.881 ( 0.000 0.002 0.000) 0.002 10.259 ( 0.000 0.055 0.000) 0.055 10.723 ( -0.000 -0.048 0.000) 0.048 11.459 ( 0.000 5.267 0.000) 5.267 12.224 ( -0.000 -4.551 0.000) 4.551======================= Grid point 56 (38/196) =======================q-point: (-0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( 5.524 -0.000 0.000) 5.524 1.332 ( -7.215 0.000 0.000) 7.215 1.342 ( -9.893 0.000 0.000) 9.893 1.794 ( -7.888 0.000 0.000) 7.888 1.866 ( -8.034 0.000 0.000) 8.034 1.876 ( -2.793 0.000 0.000) 2.793 2.150 ( -0.984 0.000 0.000) 0.984 2.707 ( -3.161 0.000 0.000) 3.161 3.001 ( 6.154 -0.000 0.000) 6.154 3.376 ( 2.111 -0.000 0.000) 2.111 3.378 ( -7.505 0.000 0.000) 7.505 3.463 ( -4.994 0.000 0.000) 4.994 3.612 ( 5.333 -0.000 0.000) 5.333 3.804 ( 4.724 -0.000 0.000) 4.724 4.298 ( -1.666 0.000 0.000) 1.666 4.676 ( -4.543 0.000 0.000) 4.543 4.770 ( -13.887 0.000 0.000) 13.887 5.771 ( -3.309 0.000 0.000) 3.309 9.707 ( -7.665 0.000 0.000) 7.665 9.852 ( -9.762 0.000 0.000) 9.762 10.307 ( -0.492 0.000 0.000) 0.492 10.573 ( 1.162 -0.000 0.000) 1.162 10.590 ( 7.445 -0.000 0.000) 7.445 10.773 ( 17.920 -0.000 0.000) 17.920======================= Grid point 58 (39/196) =======================q-point: (-0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 7.716 -0.342 0.000) 7.724 1.164 ( -10.481 -0.068 0.000) 10.482 1.213 ( -4.635 -2.077 0.000) 5.079 1.682 ( -4.202 -2.213 0.000) 4.749 1.693 ( -9.358 2.336 0.000) 9.645 1.849 ( -1.158 -3.512 0.000) 3.698 2.127 ( -1.629 -1.223 0.000) 2.037 2.604 ( -7.769 0.726 0.000) 7.803 3.118 ( 6.128 0.196 0.000) 6.131 3.193 ( -11.048 2.127 0.000) 11.251 3.342 ( -7.807 0.010 0.000) 7.807 3.386 ( -1.113 0.377 0.000) 1.175 3.719 ( 5.978 0.637 0.000) 6.012 3.850 ( -1.831 -0.124 0.000) 1.835 4.276 ( -1.097 -0.823 0.000) 1.371 4.438 ( -19.912 1.645 0.000) 19.980 4.566 ( -6.160 -0.615 0.000) 6.190 5.748 ( 1.079 -0.133 0.000) 1.087 9.556 ( -9.044 -0.255 0.000) 9.047 9.671 ( -10.090 -1.910 0.000) 10.270 10.296 ( -0.684 0.007 0.000) 0.684 10.601 ( 1.845 -0.006 0.000) 1.845 10.769 ( 11.619 0.243 0.000) 11.622 11.101 ( 17.324 1.146 0.000) 17.362======================= Grid point 59 (40/196) =======================q-point: (-0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -12.361 -0.042 0.000) 12.361 1.162 ( -0.994 4.978 0.000) 5.076 1.207 ( 7.403 0.452 0.000) 7.416 1.506 ( -8.133 3.805 0.000) 8.980 1.677 ( 0.588 -8.235 0.000) 8.256 1.869 ( 0.238 -6.919 0.000) 6.923 2.111 ( -1.159 -3.374 0.000) 3.568 2.415 ( -11.400 1.773 0.000) 11.537 2.957 ( -11.926 4.493 0.000) 12.744 3.177 ( -9.579 0.009 0.000) 9.579 3.222 ( 5.112 0.337 0.000) 5.123 3.314 ( -7.616 -1.333 0.000) 7.732 3.688 ( -15.324 -0.151 0.000) 15.325 3.820 ( 5.318 1.512 0.000) 5.529 4.023 ( -19.553 2.298 0.000) 19.688 4.298 ( 1.075 -0.143 0.000) 1.085 4.512 ( 0.374 -1.068 0.000) 1.131 5.804 ( 4.549 0.436 0.000) 4.569 9.359 ( -11.859 0.480 0.000) 11.869 9.489 ( -12.078 -5.868 0.000) 13.428 10.283 ( -0.698 0.015 0.000) 0.698 10.640 ( 2.199 -0.005 0.000) 2.199 11.011 ( 14.269 1.065 0.000) 14.309 11.412 ( 17.101 2.251 0.000) 17.248======================= Grid point 60 (41/196) =======================q-point: (-0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.711 ( -12.668 0.272 0.000) 12.671 1.111 ( 1.809 15.810 0.000) 15.913 1.226 ( -4.318 9.905 0.000) 10.805 1.449 ( 4.293 -2.422 0.000) 4.929 1.759 ( 1.729 -8.853 0.000) 9.021 1.926 ( 0.855 -9.978 0.000) 10.014 2.111 ( -2.399 -4.786 0.000) 5.353 2.178 ( -11.216 4.896 0.000) 12.238 2.718 ( -10.421 3.488 0.000) 10.989 2.995 ( -9.469 0.001 0.000) 9.469 3.103 ( -15.326 -5.087 0.000) 16.149 3.303 ( 3.639 0.439 0.000) 3.666 3.346 ( -19.582 -2.054 0.000) 19.690 3.724 ( -10.842 1.973 0.000) 11.020 3.897 ( 3.876 2.422 0.000) 4.570 4.325 ( 1.930 1.938 0.000) 2.735 4.565 ( 3.872 -0.811 0.000) 3.956 5.897 ( 5.496 0.943 0.000) 5.576 9.122 ( -12.955 -0.680 0.000) 12.973 9.264 ( -15.880 -7.118 0.000) 17.402 10.271 ( -0.550 0.023 0.000) 0.551 10.680 ( 2.006 -0.002 0.000) 2.006 11.271 ( 13.810 2.664 0.000) 14.065 11.719 ( 16.886 1.950 0.000) 16.998======================= Grid point 61 (42/196) =======================q-point: (-0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.488 ( -9.998 1.181 0.000) 10.067 1.062 ( -4.610 13.886 0.000) 14.632 1.075 ( 5.298 21.451 0.000) 22.096 1.565 ( 4.771 -2.743 0.000) 5.503 1.744 ( -6.379 11.113 0.000) 12.814 1.971 ( -6.651 2.922 0.000) 7.264 2.002 ( 0.706 -12.386 0.000) 12.406 2.061 ( -3.225 -3.514 0.000) 4.770 2.570 ( -6.215 -6.429 0.000) 8.942 2.841 ( -6.363 0.010 0.000) 6.363 2.895 ( -8.613 -4.707 0.000) 9.815 3.062 ( -11.629 -10.611 0.000) 15.742 3.352 ( 1.892 0.537 0.000) 1.967 3.568 ( -5.653 1.332 0.000) 5.808 3.937 ( 2.019 3.249 0.000) 3.825 4.339 ( 1.424 5.212 0.000) 5.403 4.639 ( 3.161 -0.590 0.000) 3.215 5.992 ( 4.756 0.053 0.000) 4.757 8.901 ( -12.041 -3.247 0.000) 12.471 8.995 ( -13.196 -2.113 0.000) 13.364 10.263 ( -0.299 0.032 0.000) 0.301 10.711 ( 1.209 -0.011 0.000) 1.209 11.467 ( 8.465 4.704 0.000) 9.684 12.009 ( 13.347 -1.438 0.000) 13.425======================= Grid point 62 (43/196) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.371 ( 0.000 2.543 0.000) 2.543 0.935 ( 0.000 15.233 0.000) 15.233 1.041 ( 0.000 21.185 0.000) 21.185 1.495 ( 0.000 31.221 0.000) 31.221 1.626 ( -0.000 -1.909 0.000) 1.909 1.908 ( -0.000 -3.549 0.000) 3.549 2.075 ( -0.000 -5.297 0.000) 5.297 2.080 ( -0.000 -13.772 0.000) 13.772 2.548 ( -0.000 -9.421 0.000) 9.421 2.778 ( 0.000 0.033 0.000) 0.033 2.814 ( 0.000 0.105 0.000) 0.105 3.064 ( -0.000 -19.691 0.000) 19.691 3.367 ( 0.000 0.664 0.000) 0.664 3.499 ( 0.000 2.145 0.000) 2.145 3.937 ( 0.000 3.895 0.000) 3.895 4.318 ( 0.000 7.609 0.000) 7.609 4.675 ( -0.000 -0.742 0.000) 0.742 6.052 ( -0.000 -1.813 0.000) 1.813 8.749 ( 0.000 0.194 0.000) 0.194 8.881 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.042 0.000) 0.042 10.723 ( -0.000 -0.025 0.000) 0.025 11.519 ( 0.000 5.706 0.000) 5.706 12.172 ( -0.000 -5.042 0.000) 5.042======================= Grid point 71 (44/196) =======================q-point: (-0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( -12.320 0.000 0.000) 12.320 1.194 ( 2.592 -0.000 0.000) 2.592 1.209 ( 8.320 -0.000 0.000) 8.320 1.529 ( -8.644 0.000 0.000) 8.644 1.627 ( -0.851 0.000 0.000) 0.851 1.829 ( 0.040 -0.000 0.000) 0.040 2.093 ( -1.493 0.000 0.000) 1.493 2.424 ( -11.202 0.000 0.000) 11.202 2.984 ( -11.690 0.000 0.000) 11.690 3.177 ( -9.584 0.000 0.000) 9.584 3.224 ( 5.099 -0.000 0.000) 5.099 3.305 ( -8.501 0.000 0.000) 8.501 3.687 ( -15.493 0.000 0.000) 15.493 3.829 ( 5.376 -0.000 0.000) 5.376 4.036 ( -19.605 0.000 0.000) 19.605 4.297 ( 1.283 -0.000 0.000) 1.283 4.506 ( 0.522 -0.000 0.000) 0.522 5.806 ( 4.696 -0.000 0.000) 4.696 9.363 ( -11.900 0.000 0.000) 11.900 9.457 ( -12.200 0.000 0.000) 12.200 10.283 ( -0.698 0.000 0.000) 0.698 10.640 ( 2.201 -0.000 0.000) 2.201 11.017 ( 14.484 -0.000 0.000) 14.484 11.424 ( 16.942 -0.000 0.000) 16.942======================= Grid point 73 (45/196) =======================q-point: (-0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( -12.497 0.088 0.000) 12.498 1.258 ( 5.542 9.430 0.000) 10.938 1.327 ( 0.733 8.428 0.000) 8.460 1.408 ( 0.059 -5.235 0.000) 5.235 1.662 ( 2.493 -7.037 0.000) 7.466 1.847 ( 0.683 -4.050 0.000) 4.107 2.071 ( -1.775 -2.093 0.000) 2.745 2.212 ( -10.073 1.502 0.000) 10.184 2.767 ( -10.217 3.756 0.000) 10.885 2.995 ( -9.470 0.002 0.000) 9.470 3.051 ( -18.408 -3.567 0.000) 18.751 3.306 ( 3.616 0.143 0.000) 3.618 3.330 ( -20.745 -0.715 0.000) 20.757 3.738 ( -11.488 0.675 0.000) 11.508 3.914 ( 3.938 0.845 0.000) 4.027 4.339 ( 2.894 0.671 0.000) 2.971 4.559 ( 4.104 -0.308 0.000) 4.116 5.903 ( 5.318 0.268 0.000) 5.324 9.115 ( -14.123 -0.522 0.000) 14.132 9.217 ( -13.834 -1.952 0.000) 13.971 10.271 ( -0.550 0.007 0.000) 0.551 10.680 ( 2.008 0.001 0.000) 2.008 11.291 ( 14.382 1.019 0.000) 14.418 11.731 ( 15.754 0.444 0.000) 15.760======================= Grid point 74 (46/196) =======================q-point: (-0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -9.623 0.540 0.000) 9.639 1.206 ( -3.483 12.178 0.000) 12.666 1.283 ( 4.719 16.369 0.000) 17.035 1.522 ( 4.499 -5.299 0.000) 6.951 1.757 ( 2.984 -5.010 0.000) 5.831 1.892 ( 0.591 -7.508 0.000) 7.531 2.022 ( -6.025 -1.766 0.000) 6.278 2.061 ( -2.917 7.890 0.000) 8.412 2.551 ( -10.156 3.730 0.000) 10.819 2.797 ( -9.359 -13.129 0.000) 16.123 2.841 ( -6.352 0.008 0.000) 6.352 2.988 ( -15.488 -3.147 0.000) 15.805 3.356 ( 1.874 0.257 0.000) 1.892 3.579 ( -5.637 0.766 0.000) 5.688 3.964 ( 2.060 1.738 0.000) 2.695 4.382 ( 2.264 2.712 0.000) 3.533 4.634 ( 3.253 -0.302 0.000) 3.267 5.991 ( 3.801 -0.210 0.000) 3.807 8.873 ( -11.499 -1.760 0.000) 11.633 8.984 ( -10.476 -0.461 0.000) 10.486 10.263 ( -0.298 0.015 0.000) 0.299 10.711 ( 1.207 0.000 0.000) 1.207 11.510 ( 9.179 3.023 0.000) 9.664 11.991 ( 10.974 -1.583 0.000) 11.088======================= Grid point 75 (47/196) =======================q-point: (-0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( 0.000 1.278 0.000) 1.278 1.098 ( 0.000 14.589 0.000) 14.589 1.248 ( 0.000 17.128 0.000) 17.128 1.594 ( -0.000 -4.313 0.000) 4.313 1.798 ( 0.000 23.319 0.000) 23.319 1.861 ( -0.000 -5.136 0.000) 5.136 1.946 ( -0.000 -10.513 0.000) 10.513 2.039 ( 0.000 0.279 0.000) 0.279 2.457 ( -0.000 -7.149 0.000) 7.149 2.778 ( 0.000 0.024 0.000) 0.024 2.815 ( 0.000 0.102 0.000) 0.102 2.848 ( -0.000 -20.291 0.000) 20.291 3.372 ( 0.000 0.377 0.000) 0.377 3.518 ( 0.000 1.363 0.000) 1.363 3.972 ( 0.000 2.573 0.000) 2.573 4.384 ( 0.000 4.727 0.000) 4.727 4.669 ( -0.000 -0.401 0.000) 0.401 6.035 ( -0.000 -1.318 0.000) 1.318 8.751 ( 0.000 0.139 0.000) 0.139 8.881 ( -0.000 -0.001 0.000) 0.001 10.260 ( 0.000 0.024 0.000) 0.024 10.722 ( -0.000 -0.006 0.000) 0.006 11.577 ( 0.000 4.779 0.000) 4.779 12.120 ( -0.000 -4.315 0.000) 4.315======================= Grid point 86 (48/196) =======================q-point: (-0.54 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.500 ( -9.510 0.000 0.000) 9.510 1.287 ( -3.617 0.000 0.000) 3.617 1.385 ( 3.494 -0.000 0.000) 3.494 1.478 ( 4.773 -0.000 0.000) 4.773 1.714 ( 5.277 -0.000 0.000) 5.277 1.851 ( 0.701 -0.000 0.000) 0.701 2.008 ( -4.742 0.000 0.000) 4.742 2.108 ( -0.191 0.000 0.000) 0.191 2.643 ( -4.141 0.000 0.000) 4.141 2.653 ( -20.272 0.000 0.000) 20.272 2.842 ( -6.349 0.000 0.000) 6.349 2.974 ( -15.345 0.000 0.000) 15.345 3.358 ( 1.868 -0.000 0.000) 1.868 3.583 ( -5.629 0.000 0.000) 5.629 3.973 ( 2.073 -0.000 0.000) 2.073 4.397 ( 2.539 -0.000 0.000) 2.539 4.633 ( 3.298 -0.000 0.000) 3.298 5.990 ( 3.492 -0.000 0.000) 3.492 8.864 ( -11.000 0.000 0.000) 11.000 8.982 ( -9.964 0.000 0.000) 9.964 10.263 ( -0.298 0.000 0.000) 0.298 10.711 ( 1.207 -0.000 0.000) 1.207 11.527 ( 9.503 -0.000 0.000) 9.503 11.981 ( 10.145 -0.000 0.000) 10.145======================= Grid point 88 (49/196) =======================q-point: (-0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.399 ( 0.000 0.396 0.000) 0.396 1.229 ( 0.000 8.245 0.000) 8.245 1.390 ( 0.000 7.879 0.000) 7.879 1.539 ( -0.000 -4.615 0.000) 4.615 1.809 ( -0.000 -3.604 0.000) 3.604 1.868 ( -0.000 -3.713 0.000) 3.713 1.922 ( 0.000 1.994 0.000) 1.994 2.132 ( 0.000 12.361 0.000) 12.361 2.403 ( -0.000 -2.673 0.000) 2.673 2.653 ( -0.000 -13.343 0.000) 13.343 2.779 ( 0.000 0.008 0.000) 0.008 2.816 ( 0.000 0.040 0.000) 0.040 3.375 ( 0.000 0.122 0.000) 0.122 3.528 ( 0.000 0.465 0.000) 0.465 3.991 ( 0.000 0.894 0.000) 0.894 4.418 ( 0.000 1.606 0.000) 1.606 4.666 ( -0.000 -0.120 0.000) 0.120 6.025 ( -0.000 -0.483 0.000) 0.483 8.752 ( 0.000 0.050 0.000) 0.050 8.881 ( -0.000 -0.000 0.000) 0.000 10.260 ( 0.000 0.007 0.000) 0.007 10.722 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 1.969 0.000) 1.969 12.086 ( -0.000 -1.803 0.000) 1.803======================= Grid point 175 (50/196) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.293 ( 0.000 0.000 15.133) 15.133 0.386 ( 0.000 0.000 19.079) 19.079 0.664 ( 0.000 0.000 30.492) 30.492 1.532 ( 0.000 0.000 -0.782) 0.782 1.674 ( 0.000 0.000 2.198) 2.198 1.889 ( 0.000 0.000 -7.483) 7.483 2.226 ( 0.000 0.000 -1.517) 1.517 2.455 ( 0.000 0.000 -3.724) 3.724 2.791 ( 0.000 0.000 0.101) 0.101 2.793 ( 0.000 0.000 0.877) 0.877 2.892 ( 0.000 0.000 3.943) 3.943 3.178 ( 0.000 0.000 3.043) 3.043 3.391 ( 0.000 0.000 -1.860) 1.860 3.466 ( 0.000 0.000 -3.479) 3.479 3.895 ( 0.000 0.000 6.251) 6.251 4.293 ( 0.000 0.000 7.890) 7.890 4.629 ( 0.000 0.000 -3.229) 3.229 5.727 ( 0.000 0.000 -6.887) 6.887 8.750 ( 0.000 0.000 0.666) 0.666 8.874 ( 0.000 0.000 -0.681) 0.681 10.733 ( 0.000 0.000 0.986) 0.986 11.075 ( 0.000 0.000 3.875) 3.875 11.310 ( 0.000 0.000 -5.234) 5.234 11.595 ( 0.000 0.000 -1.798) 1.798======================= Grid point 176 (51/196) =======================q-point: ( 0.08 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.538 ( 18.866 2.651 9.193) 21.153 0.593 ( 13.739 -5.415 13.288) 19.866 0.949 ( 24.793 -9.232 18.605) 32.344 1.171 ( -15.816 5.996 20.746) 26.768 1.620 ( -5.707 -1.665 1.656) 6.171 1.975 ( 7.722 -0.018 -5.293) 9.362 2.195 ( -0.507 3.220 -3.050) 4.464 2.420 ( -2.624 2.757 -4.107) 5.600 2.864 ( 6.870 0.648 1.632) 7.091 2.953 ( 11.743 4.279 -0.665) 12.516 2.973 ( 9.398 -0.245 1.788) 9.569 3.203 ( 1.677 -4.670 2.750) 5.673 3.419 ( -4.691 -0.854 -1.144) 4.903 3.426 ( 1.141 -0.809 -1.583) 2.112 3.995 ( 6.627 -2.971 -2.455) 7.667 4.124 ( -8.561 3.379 17.469) 19.745 4.611 ( -2.229 -0.602 -3.332) 4.054 5.725 ( -1.578 -2.976 -7.444) 8.170 8.945 ( 7.293 0.062 -0.479) 7.309 9.279 ( 33.729 5.685 -28.176) 44.315 10.704 ( -1.612 5.611 1.439) 6.013 10.962 ( -4.110 20.041 11.842) 23.639 11.247 ( -7.623 -3.716 -4.422) 9.564 11.409 ( -18.322 -23.672 5.920) 30.513======================= Grid point 177 (52/196) =======================q-point: ( 0.15 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 13.175 0.050 9.723) 16.375 0.940 ( 20.509 3.006 5.888) 21.548 1.076 ( 5.459 -0.040 12.472) 13.614 1.448 ( 7.645 -2.162 3.703) 8.765 1.550 ( 9.559 -10.660 7.273) 16.060 2.129 ( 7.648 0.578 -2.857) 8.185 2.186 ( 2.117 3.920 -3.595) 5.725 2.339 ( -3.347 5.138 -4.389) 7.541 2.995 ( 4.545 -0.214 0.492) 4.576 3.066 ( 5.209 5.486 3.820) 8.474 3.179 ( 6.139 1.811 -2.746) 6.964 3.344 ( 2.332 -1.015 5.867) 6.395 3.374 ( 10.404 -4.188 1.292) 11.289 3.463 ( 5.676 -2.120 -1.792) 6.318 3.971 ( -4.367 0.432 11.280) 12.103 4.159 ( 6.341 -2.560 0.312) 6.845 4.561 ( -2.919 0.075 -3.401) 4.482 5.703 ( -1.965 -1.897 -7.468) 7.952 9.126 ( 11.332 -0.019 -0.084) 11.332 9.694 ( 16.631 8.685 -24.051) 30.504 10.613 ( -2.929 11.076 5.034) 12.514 10.804 ( -4.252 6.990 12.337) 14.804 11.089 ( -11.128 -4.775 -3.030) 12.482 11.222 ( -14.489 -17.076 1.946) 22.479======================= Grid point 178 (53/196) =======================q-point: ( 0.23 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( 10.218 1.252 6.632) 12.246 1.223 ( 8.435 2.555 3.719) 9.565 1.312 ( 12.135 -3.309 1.678) 12.690 1.382 ( 4.601 4.765 5.935) 8.894 1.912 ( 10.241 -4.345 3.388) 11.629 2.194 ( -1.800 6.391 -5.356) 8.530 2.257 ( 9.268 -0.112 -0.294) 9.274 2.305 ( 3.410 0.606 -1.360) 3.721 2.965 ( -2.038 5.136 1.017) 5.618 3.152 ( -1.127 -4.409 -3.628) 5.819 3.226 ( 6.428 0.052 4.155) 7.654 3.329 ( -2.540 -1.180 9.627) 10.026 3.635 ( 9.445 0.130 -1.138) 9.514 3.699 ( 11.930 -1.607 0.554) 12.050 3.982 ( 8.509 -3.389 9.116) 12.922 4.277 ( 5.637 -0.195 -0.966) 5.723 4.520 ( -0.751 0.249 -3.448) 3.538 5.681 ( -0.741 -0.682 -7.438) 7.506 9.348 ( 11.981 -0.096 0.126) 11.982 9.870 ( 8.156 8.626 -15.800) 19.763 10.500 ( -3.168 8.491 7.188) 11.567 10.712 ( -3.813 1.146 7.437) 8.436 10.897 ( -10.987 -2.233 -2.379) 11.462 11.036 ( -13.689 -11.817 0.128) 18.084======================= Grid point 179 (54/196) =======================q-point: ( 0.31 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -5.807 0.778 1.761) 6.118 1.224 ( 6.780 0.532 4.660) 8.245 1.531 ( 12.720 1.265 0.104) 12.783 1.649 ( 16.390 5.428 4.354) 17.806 1.959 ( -1.598 5.954 0.887) 6.228 2.114 ( -1.930 5.466 -3.779) 6.919 2.327 ( -0.195 3.158 1.096) 3.349 2.475 ( 8.596 -2.944 -1.124) 9.155 2.986 ( 6.395 -2.606 0.261) 6.911 3.124 ( -3.338 -5.035 0.996) 6.123 3.278 ( -3.257 -2.974 8.709) 9.762 3.369 ( 7.076 0.650 2.762) 7.624 3.650 ( -3.812 -0.325 2.414) 4.524 3.871 ( 4.668 -0.684 1.589) 4.978 4.243 ( 9.173 -2.945 -1.085) 9.695 4.422 ( 13.764 1.271 3.066) 14.158 4.549 ( 3.674 -0.439 -3.257) 4.929 5.692 ( 1.974 0.525 -7.135) 7.422 9.569 ( 11.678 0.075 0.027) 11.678 9.931 ( 3.545 7.922 -9.292) 12.715 10.410 ( -2.743 4.085 5.809) 7.613 10.639 ( -4.036 -0.613 3.386) 5.303 10.716 ( -8.731 -0.503 -1.044) 8.807 10.838 ( -13.153 -7.793 -0.167) 15.289======================= Grid point 180 (55/196) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( -6.251 0.189 3.812) 7.324 1.348 ( 5.629 1.276 0.668) 5.811 1.702 ( 5.266 6.788 -0.898) 8.638 1.854 ( 6.003 3.666 3.559) 7.883 1.929 ( 6.401 3.068 0.320) 7.106 2.058 ( -1.616 3.110 -0.555) 3.549 2.279 ( -2.125 4.121 1.276) 4.809 2.592 ( 3.192 -1.919 -3.545) 5.142 3.093 ( -1.165 -2.164 7.394) 7.792 3.183 ( 7.816 -5.861 0.215) 9.772 3.240 ( -1.305 -4.768 6.435) 8.114 3.476 ( 4.348 0.711 1.371) 4.614 3.568 ( -4.585 -0.751 1.255) 4.813 3.887 ( -1.756 1.092 1.947) 2.839 4.324 ( 1.664 0.233 -2.571) 3.072 4.630 ( 3.735 -0.862 -3.063) 4.907 4.728 ( 15.060 -1.060 3.350) 15.464 5.745 ( 3.779 1.155 -6.451) 7.565 9.786 ( 11.647 1.096 -0.265) 11.701 9.937 ( 1.682 5.232 -4.209) 6.923 10.352 ( -2.207 0.945 2.371) 3.374 10.549 ( -5.618 -1.071 -0.573) 5.748 10.583 ( -9.326 -3.164 -1.202) 9.921 10.647 ( -6.983 -0.980 3.115) 7.709======================= Grid point 181 (56/196) =======================q-point: ( 0.46 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( -2.462 0.080 4.582) 5.202 1.410 ( 1.663 0.958 -1.665) 2.541 1.682 ( -0.703 3.790 4.121) 5.643 1.944 ( 3.879 0.726 -0.615) 3.994 1.987 ( -0.792 0.647 -1.438) 1.764 2.097 ( 6.456 1.171 1.072) 6.648 2.208 ( -3.951 1.766 1.687) 4.645 2.632 ( 0.562 -0.916 -4.676) 4.797 3.102 ( 1.482 0.889 15.055) 15.154 3.184 ( -2.909 -3.462 4.048) 6.069 3.386 ( 5.935 -3.910 -1.143) 7.198 3.495 ( -1.968 0.461 -0.716) 2.145 3.526 ( 0.357 0.443 -0.792) 0.975 3.835 ( -2.011 1.036 3.537) 4.199 4.339 ( 0.367 0.347 -2.309) 2.363 4.681 ( 1.205 -0.414 -3.148) 3.396 4.934 ( 5.707 -0.636 2.788) 6.383 5.799 ( 1.925 0.603 -5.840) 6.178 9.899 ( 1.155 2.472 -0.250) 2.740 10.038 ( 10.275 0.765 -1.971) 10.490 10.307 ( -3.831 -1.661 -1.945) 4.607 10.382 ( -8.976 -1.008 0.537) 9.049 10.480 ( -1.946 -0.133 -0.346) 1.981 10.595 ( -0.846 0.285 3.141) 3.266======================= Grid point 189 (57/196) =======================q-point: ( 0.08 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 13.427 -0.000 10.202) 16.863 0.963 ( 21.828 -0.000 2.508) 21.972 1.077 ( 3.984 -0.000 13.867) 14.428 1.429 ( 26.458 -0.000 10.683) 28.534 1.493 ( -7.097 0.000 1.762) 7.312 2.132 ( 8.101 -0.000 -3.200) 8.710 2.209 ( 1.355 -0.000 -2.877) 3.180 2.368 ( -3.619 0.000 -4.668) 5.907 2.991 ( 5.069 -0.000 0.121) 5.071 3.095 ( 5.292 -0.000 4.932) 7.234 3.197 ( 2.655 -0.000 -5.617) 6.213 3.340 ( 0.539 -0.000 5.385) 5.412 3.342 ( 14.809 -0.000 2.121) 14.960 3.452 ( 6.049 -0.000 -0.589) 6.077 3.974 ( -5.634 0.000 11.851) 13.122 4.145 ( 7.232 -0.000 0.411) 7.244 4.561 ( -2.790 0.000 -3.397) 4.395 5.692 ( -1.360 0.000 -7.020) 7.151 9.126 ( 11.301 -0.000 -0.063) 11.301 9.742 ( 15.593 -0.000 -26.561) 30.800 10.676 ( -2.901 0.000 -0.306) 2.917 10.943 ( -6.006 0.000 4.463) 7.483 10.956 ( -13.283 0.000 14.457) 19.632 11.132 ( -10.320 0.000 -0.823) 10.352======================= Grid point 190 (58/196) =======================q-point: ( 0.15 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( 10.450 0.524 7.494) 12.869 1.249 ( 7.486 2.396 2.362) 8.207 1.277 ( 7.541 -2.934 0.816) 8.132 1.433 ( 10.519 3.371 5.154) 12.189 1.861 ( 16.277 -3.503 5.066) 17.404 2.237 ( 0.998 1.848 -3.797) 4.339 2.267 ( 5.927 0.879 -1.449) 6.164 2.310 ( 0.504 0.415 -2.120) 2.218 3.013 ( -1.250 3.330 -0.319) 3.571 3.106 ( -5.960 -3.280 -5.646) 8.841 3.229 ( 8.169 0.279 4.929) 9.545 3.320 ( -3.157 -0.497 10.502) 10.977 3.643 ( 13.541 1.118 0.836) 13.613 3.680 ( 8.766 -1.596 0.162) 8.912 3.955 ( 8.027 -1.392 9.352) 12.402 4.276 ( 6.752 -0.082 -0.983) 6.824 4.521 ( -0.893 0.063 -3.473) 3.587 5.676 ( -0.158 -0.263 -7.137) 7.143 9.347 ( 11.992 -0.035 0.152) 11.993 9.934 ( 7.076 3.092 -18.152) 19.726 10.592 ( -4.296 6.645 0.428) 7.924 10.732 ( -7.049 3.075 11.534) 13.863 10.851 ( -8.514 -6.937 3.476) 11.519 10.937 ( -11.531 -4.270 -1.154) 12.351======================= Grid point 191 (59/196) =======================q-point: ( 0.23 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -7.245 0.542 1.363) 7.392 1.228 ( 8.008 0.142 4.459) 9.167 1.532 ( 13.704 -0.366 0.343) 13.713 1.712 ( 16.082 5.026 2.525) 17.037 2.009 ( 0.677 3.278 1.393) 3.626 2.165 ( -3.801 3.579 -4.450) 6.860 2.347 ( 0.858 0.668 0.842) 1.375 2.448 ( 9.727 -1.939 -0.767) 9.948 2.977 ( 2.004 0.909 -1.188) 2.501 3.067 ( -1.696 -5.260 -1.065) 5.629 3.254 ( -3.986 -1.502 11.554) 12.314 3.375 ( 7.121 0.433 3.322) 7.870 3.649 ( -4.511 0.095 4.113) 6.105 3.862 ( 5.836 -0.748 1.372) 6.042 4.216 ( 10.938 -1.948 -0.548) 11.124 4.434 ( 12.784 0.942 2.188) 13.004 4.544 ( 3.296 -0.310 -3.326) 4.692 5.696 ( 2.410 0.287 -6.996) 7.405 9.569 ( 11.833 0.027 0.001) 11.833 10.000 ( 2.593 4.692 -11.842) 12.999 10.466 ( -4.590 6.282 3.724) 8.626 10.621 ( -5.928 -3.179 4.840) 8.286 10.713 ( -7.973 0.014 -0.121) 7.974 10.760 ( -10.082 -5.988 2.073) 11.908======================= Grid point 192 (60/196) =======================q-point: ( 0.31 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( -6.322 0.123 3.111) 7.047 1.358 ( 5.595 0.676 1.337) 5.792 1.749 ( 8.241 2.195 -2.508) 8.890 1.915 ( 2.408 6.719 3.524) 7.960 1.958 ( 4.658 2.282 -0.101) 5.188 2.085 ( -3.096 1.910 -1.771) 4.046 2.312 ( -3.313 1.900 2.009) 4.315 2.577 ( 3.770 -0.790 -3.804) 5.414 3.068 ( 2.355 -2.350 3.858) 5.094 3.129 ( 7.953 -4.000 -0.179) 8.904 3.196 ( -2.693 -3.354 10.789) 11.614 3.483 ( 4.457 0.601 1.966) 4.909 3.561 ( -4.443 -0.492 2.234) 4.998 3.896 ( -1.329 0.572 1.663) 2.204 4.323 ( 2.087 -0.428 -2.545) 3.319 4.622 ( 3.812 -0.674 -3.135) 4.982 4.721 ( 14.883 -0.248 3.224) 15.230 5.756 ( 3.749 0.786 -6.442) 7.495 9.795 ( 12.445 0.538 -0.464) 12.466 9.992 ( -0.347 4.708 -6.043) 7.668 10.366 ( -3.859 1.827 1.500) 4.525 10.519 ( -7.985 -4.674 3.394) 9.856 10.559 ( -7.859 -0.862 -3.758) 8.754 10.643 ( -3.912 -0.050 4.701) 6.116======================= Grid point 193 (61/196) =======================q-point: ( 0.38 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -2.552 0.039 4.279) 4.982 1.418 ( 1.050 0.665 -1.192) 1.722 1.727 ( -4.380 4.369 2.777) 6.781 1.953 ( 3.973 0.812 -0.366) 4.072 1.994 ( -2.560 0.462 -1.940) 3.245 2.105 ( 4.976 0.374 0.449) 5.010 2.216 ( -6.392 -0.266 2.646) 6.923 2.627 ( 1.691 -0.060 -4.692) 4.987 3.112 ( 0.349 0.639 17.210) 17.225 3.161 ( 1.847 -0.536 1.703) 2.568 3.338 ( 7.718 -4.870 -1.349) 9.225 3.499 ( -1.673 0.251 -0.245) 1.709 3.533 ( 0.767 0.733 0.106) 1.066 3.844 ( -2.889 0.587 3.077) 4.261 4.339 ( -0.091 -0.272 -2.333) 2.351 4.676 ( 1.638 -0.330 -3.175) 3.588 4.929 ( 6.372 -0.196 2.805) 6.965 5.805 ( 1.346 0.487 -5.858) 6.031 9.929 ( -1.201 2.991 -0.936) 3.356 10.043 ( 10.205 0.165 -1.931) 10.388 10.287 ( -5.126 -2.006 -2.780) 6.167 10.373 ( -5.866 -0.690 2.070) 6.259 10.478 ( -1.818 -0.112 -0.564) 1.907 10.598 ( -1.132 0.263 3.362) 3.557======================= Grid point 194 (62/196) =======================q-point: (-0.54 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 2.369 -0.109 4.875) 5.422 1.399 ( -2.786 -1.051 -2.231) 3.721 1.648 ( -3.204 -2.424 4.939) 6.367 1.937 ( -3.642 -0.593 -0.756) 3.766 1.981 ( -1.011 -0.424 -0.715) 1.309 2.079 ( -7.945 -2.186 2.287) 8.552 2.182 ( 2.187 -2.734 0.491) 3.535 2.645 ( 0.435 1.399 -4.485) 4.718 3.095 ( -0.535 -0.374 14.779) 14.793 3.230 ( 5.049 4.803 4.038) 8.054 3.417 ( -2.771 1.510 -0.934) 3.292 3.493 ( 1.550 0.366 -1.253) 2.027 3.524 ( -0.172 -0.046 -1.184) 1.197 3.822 ( 0.945 -1.413 3.795) 4.158 4.332 ( -0.928 -0.986 -2.262) 2.636 4.685 ( -0.783 0.397 -3.108) 3.230 4.943 ( -4.879 0.990 2.724) 5.675 5.793 ( -2.569 -0.588 -5.812) 6.381 9.877 ( -3.535 -1.591 0.262) 3.885 10.028 ( -9.908 -1.049 -1.945) 10.152 10.322 ( 1.856 1.029 -0.663) 2.223 10.394 ( 12.298 1.076 -1.255) 12.409 10.481 ( 2.130 0.102 -0.240) 2.146 10.593 ( 0.519 -0.226 2.939) 2.993======================= Grid point 195 (63/196) =======================q-point: (-0.46 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 6.197 -0.206 4.682) 7.769 1.330 ( -5.715 -2.182 -0.464) 6.135 1.615 ( -5.069 -8.642 2.734) 10.385 1.836 ( -7.671 -0.254 2.042) 7.942 1.895 ( -7.288 -3.209 1.145) 8.045 2.021 ( -0.032 -3.754 0.730) 3.824 2.229 ( 0.972 -4.927 0.460) 5.043 2.615 ( -2.758 2.333 -3.517) 5.041 3.113 ( 2.742 1.575 10.011) 10.499 3.250 ( -7.090 6.368 0.163) 9.531 3.294 ( 0.890 4.939 3.617) 6.186 3.469 ( -4.207 -0.545 0.746) 4.308 3.577 ( 4.827 0.877 0.234) 4.912 3.872 ( 2.270 -1.629 2.168) 3.537 4.316 ( -1.454 -1.250 -2.492) 3.145 4.639 ( -3.854 0.725 -2.911) 4.884 4.745 ( -14.786 2.041 3.285) 15.284 5.732 ( -3.822 -1.297 -6.458) 7.616 9.770 ( -10.159 -1.867 0.090) 10.329 9.887 ( -4.669 -3.945 -2.784) 6.717 10.344 ( 1.313 -0.455 2.575) 2.926 10.557 ( 5.913 0.541 -1.604) 6.151 10.605 ( 4.260 0.784 1.643) 4.632 10.668 ( 13.320 2.804 -0.816) 13.636======================= Grid point 196 (64/196) =======================q-point: (-0.38 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 4.430 -0.663 2.355) 5.060 1.216 ( -5.455 -1.161 4.701) 7.294 1.487 ( -12.402 -6.602 2.894) 14.344 1.624 ( -13.802 0.693 3.472) 14.249 1.886 ( 1.625 -7.315 0.708) 7.527 2.053 ( 0.266 -5.920 -2.444) 6.410 2.279 ( 0.947 -5.721 1.423) 5.971 2.508 ( -7.609 3.039 -1.647) 8.357 3.030 ( -9.530 5.370 0.796) 10.968 3.169 ( 4.227 3.392 4.666) 7.152 3.316 ( 2.045 3.966 4.996) 6.699 3.362 ( -6.914 -0.594 2.097) 7.250 3.657 ( 3.482 0.887 0.534) 3.632 3.875 ( -3.624 0.143 1.687) 4.000 4.272 ( -5.550 1.980 -2.295) 6.324 4.412 ( -16.323 -0.142 4.523) 16.938 4.553 ( -4.305 0.301 -3.083) 5.303 5.685 ( -1.344 -0.665 -7.326) 7.478 9.568 ( -11.394 -0.147 0.079) 11.395 9.840 ( -5.154 -8.626 -6.161) 11.787 10.377 ( 1.522 -2.178 5.756) 6.340 10.641 ( 3.124 -0.098 3.243) 4.504 10.722 ( 9.538 0.723 -1.602) 9.699 10.916 ( 14.904 6.654 -2.581) 16.524======================= Grid point 197 (65/196) =======================q-point: (-0.31 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -9.737 -1.175 5.748) 11.368 1.194 ( -11.268 -2.552 5.539) 12.812 1.322 ( -10.233 -1.755 8.636) 13.505 1.373 ( -0.913 3.748 0.628) 3.908 1.928 ( -2.626 -1.794 1.864) 3.687 2.108 ( 1.740 -9.025 -5.911) 10.928 2.278 ( -9.049 2.280 0.957) 9.381 2.294 ( -7.171 -0.427 -1.115) 7.270 2.914 ( -1.347 -3.686 2.783) 4.811 3.186 ( -6.181 1.634 -0.203) 6.396 3.235 ( -0.602 2.047 2.163) 3.038 3.343 ( 1.451 1.358 8.201) 8.438 3.642 ( -6.819 1.390 -3.205) 7.662 3.713 ( -12.965 0.913 0.679) 13.015 4.022 ( -9.709 3.974 8.499) 13.502 4.280 ( -3.681 0.198 -0.826) 3.778 4.515 ( 0.471 -0.589 -3.398) 3.480 5.690 ( 1.659 0.851 -7.928) 8.144 9.349 ( -11.964 0.139 0.080) 11.966 9.759 ( -9.786 -11.399 -11.317) 18.809 10.426 ( 1.670 -5.102 8.597) 10.135 10.701 ( 3.107 -0.855 5.769) 6.608 10.918 ( 11.730 1.966 -3.010) 12.268 11.156 ( 15.639 9.963 -2.850) 18.761======================= Grid point 198 (66/196) =======================q-point: (-0.23 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -11.893 1.172 8.916) 14.910 0.919 ( -16.006 -0.804 10.640) 19.237 1.088 ( -8.216 2.811 9.826) 13.113 1.467 ( 3.147 1.452 1.451) 3.758 1.695 ( -15.739 14.821 7.876) 23.008 2.113 ( -5.443 -2.858 -1.079) 6.242 2.139 ( -4.063 -4.239 -6.187) 8.530 2.266 ( 1.578 -7.895 -3.593) 8.817 2.960 ( -0.583 -8.596 2.859) 9.078 3.015 ( -10.117 -1.570 1.828) 10.400 3.172 ( -8.915 0.114 -0.609) 8.936 3.358 ( -0.663 1.442 6.900) 7.080 3.411 ( -10.143 2.251 2.029) 10.586 3.497 ( -4.865 4.041 -4.550) 7.791 3.966 ( 1.559 -0.467 9.555) 9.693 4.197 ( -4.005 4.285 0.397) 5.879 4.558 ( 3.134 -0.429 -3.410) 4.651 5.728 ( 3.194 2.665 -8.478) 9.443 9.126 ( -11.438 -0.005 -0.146) 11.439 9.571 ( -18.324 -13.365 -17.265) 28.504 10.495 ( 1.539 -9.249 10.721) 14.243 10.765 ( 2.853 -1.930 8.320) 9.005 11.123 ( 10.977 2.907 -4.024) 12.048 11.401 ( 17.831 14.558 -3.391) 23.268======================= Grid point 199 (67/196) =======================q-point: (-0.15 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( -12.763 6.662 9.466) 17.230 0.662 ( -9.764 7.325 15.973) 20.103 1.068 ( 0.417 -5.315 17.352) 18.152 1.123 ( -16.675 15.752 14.494) 27.134 1.642 ( 5.781 2.004 4.010) 7.315 1.975 ( -7.656 -0.048 -4.919) 9.101 2.144 ( 0.274 -5.426 -4.243) 6.894 2.361 ( 2.629 -8.049 -3.571) 9.189 2.846 ( -8.303 -2.598 0.530) 8.716 2.888 ( -10.431 -7.272 -0.114) 12.717 2.977 ( -8.342 0.825 3.384) 9.040 3.263 ( 0.053 4.663 1.709) 4.967 3.429 ( 3.245 0.691 4.561) 5.640 3.444 ( -0.777 2.295 -5.838) 6.321 4.019 ( 0.578 -2.675 0.411) 2.767 4.103 ( -0.674 4.180 12.928) 13.604 4.618 ( 2.874 0.398 -3.510) 4.554 5.774 ( 3.786 5.252 -10.067) 11.969 8.944 ( -7.447 -0.275 -0.554) 7.473 9.180 ( -30.970 -11.116 -18.034) 37.523 10.583 ( 1.143 -13.692 10.726) 17.430 10.829 ( 1.986 -5.173 11.946) 13.169 11.276 ( 6.570 2.928 -4.715) 8.600 11.668 ( 19.913 19.864 -7.898) 29.214======================= Grid point 200 (68/196) =======================q-point: (-0.08 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.386 ( 0.000 13.652 10.940) 17.495 0.471 ( 0.000 14.354 15.418) 21.066 0.741 ( 0.000 14.239 27.506) 30.973 1.337 ( -0.000 -25.878 12.071) 28.555 1.709 ( 0.000 1.953 4.554) 4.955 1.890 ( 0.000 0.102 -7.172) 7.173 2.178 ( -0.000 -5.716 -3.222) 6.561 2.427 ( -0.000 -5.500 -3.221) 6.374 2.767 ( -0.000 -2.897 -0.263) 2.909 2.789 ( -0.000 -2.622 0.007) 2.622 2.894 ( 0.000 0.637 4.945) 4.986 3.249 ( 0.000 8.710 -0.362) 8.717 3.401 ( 0.000 1.795 -1.842) 2.572 3.471 ( 0.000 0.542 -3.103) 3.150 3.954 ( 0.000 9.528 2.418) 9.830 4.192 ( -0.000 -13.918 14.354) 19.994 4.646 ( 0.000 1.593 -4.093) 4.392 5.787 ( 0.000 8.285 -12.567) 15.053 8.750 ( 0.000 0.088 0.662) 0.668 8.874 ( 0.000 0.004 -0.680) 0.680 10.670 ( -0.000 -12.781 5.818) 14.043 10.900 ( -0.000 -14.381 15.540) 21.173 11.325 ( 0.000 2.215 -4.911) 5.388 11.807 ( 0.000 23.019 -17.346) 28.823======================= Grid point 203 (69/196) =======================q-point: ( 0.15 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( -7.929 0.000 1.225) 8.023 1.228 ( 8.597 -0.000 4.347) 9.633 1.530 ( 14.115 -0.000 0.579) 14.127 1.741 ( 15.405 -0.000 1.599) 15.488 2.027 ( 2.349 -0.000 1.674) 2.885 2.185 ( -4.646 0.000 -4.592) 6.533 2.349 ( 1.194 -0.000 0.813) 1.444 2.437 ( 10.221 -0.000 -0.645) 10.242 2.993 ( -2.260 0.000 -3.298) 3.998 3.027 ( 1.334 -0.000 -0.272) 1.361 3.246 ( -4.223 0.000 12.504) 13.197 3.378 ( 7.129 -0.000 3.541) 7.960 3.650 ( -4.944 0.000 4.854) 6.928 3.858 ( 6.441 -0.000 1.228) 6.557 4.205 ( 11.432 -0.000 -0.448) 11.440 4.440 ( 12.591 -0.000 1.926) 12.738 4.543 ( 3.156 -0.000 -3.342) 4.597 5.698 ( 2.565 -0.000 -6.946) 7.404 9.569 ( 11.882 -0.000 -0.007) 11.882 10.026 ( 2.333 -0.000 -12.723) 12.935 10.521 ( -5.651 0.000 -3.617) 6.709 10.584 ( -7.567 0.000 12.026) 14.209 10.720 ( -10.401 0.000 -3.164) 10.872 10.720 ( -5.014 0.000 6.136) 7.924======================= Grid point 204 (70/196) =======================q-point: ( 0.23 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -6.369 0.041 2.719) 6.925 1.363 ( 5.576 0.214 1.631) 5.814 1.761 ( 9.644 0.429 -2.343) 9.933 1.967 ( 8.228 1.671 0.397) 8.405 1.984 ( -4.135 2.640 1.877) 5.253 2.097 ( -3.996 0.416 -2.724) 4.854 2.322 ( -4.082 0.217 2.588) 4.838 2.574 ( 4.162 -0.037 -4.075) 5.825 3.048 ( 6.521 -1.078 1.784) 6.846 3.099 ( 6.532 -1.440 -1.250) 6.804 3.171 ( -3.752 -1.162 14.300) 14.829 3.488 ( 4.520 0.236 2.311) 5.081 3.557 ( -4.404 -0.169 2.864) 5.256 3.900 ( -1.065 0.171 1.461) 1.816 4.318 ( 2.423 -0.277 -2.502) 3.494 4.617 ( 3.882 -0.242 -3.173) 5.019 4.720 ( 14.664 0.000 3.104) 14.989 5.762 ( 3.734 0.277 -6.436) 7.446 9.798 ( 12.765 0.161 -0.551) 12.778 10.030 ( -1.263 1.952 -7.481) 7.834 10.390 ( -6.604 2.151 -1.744) 7.161 10.469 ( -6.822 -3.620 7.705) 10.909 10.555 ( -6.806 -0.136 -3.662) 7.729 10.643 ( -3.199 0.033 5.111) 6.030======================= Grid point 205 (71/196) =======================q-point: ( 0.31 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -2.617 0.011 4.048) 4.820 1.424 ( 0.787 0.328 -0.891) 1.233 1.769 ( -6.876 3.176 1.250) 7.677 1.961 ( 3.605 0.777 0.027) 3.688 1.996 ( -3.554 0.009 -2.271) 4.218 2.106 ( 3.647 -0.121 0.320) 3.663 2.207 ( -8.022 -1.065 3.368) 8.765 2.628 ( 2.357 0.286 -4.531) 5.116 3.111 ( -2.146 -0.452 17.088) 17.228 3.176 ( 7.267 3.012 1.443) 7.997 3.285 ( 8.814 -4.922 -1.443) 10.198 3.501 ( -1.416 0.059 0.050) 1.419 3.540 ( 1.083 0.519 0.934) 1.521 3.848 ( -3.477 0.254 2.627) 4.365 4.335 ( -0.368 -0.384 -2.340) 2.400 4.674 ( 1.959 -0.176 -3.189) 3.747 4.929 ( 6.772 0.018 2.792) 7.325 5.809 ( 0.949 0.270 -5.867) 5.950 9.960 ( -3.448 2.501 -1.735) 4.600 10.041 ( 10.111 -0.452 -1.718) 10.266 10.267 ( -5.042 -1.462 -2.937) 6.015 10.368 ( -4.027 -0.332 2.876) 4.960 10.477 ( -1.763 -0.060 -0.763) 1.922 10.601 ( -1.319 0.157 3.532) 3.773======================= Grid point 206 (72/196) =======================q-point: (-0.62 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( 2.295 -0.098 5.097) 5.591 1.388 ( -4.205 -0.812 -2.766) 5.098 1.629 ( -6.452 -1.120 5.237) 8.385 1.932 ( -3.407 -0.402 -0.803) 3.523 1.980 ( -2.241 0.180 0.119) 2.251 2.051 ( -8.789 -2.888 3.670) 9.953 2.156 ( 1.142 -1.937 -0.710) 2.358 2.659 ( 0.997 1.154 -4.279) 4.543 3.093 ( 0.322 -0.089 14.941) 14.945 3.283 ( 5.906 4.968 3.358) 8.416 3.417 ( 1.438 -1.279 -1.352) 2.352 3.503 ( 1.081 1.228 -1.263) 2.067 3.525 ( -0.877 0.230 -0.949) 1.312 3.806 ( -0.173 -1.330 3.791) 4.021 4.320 ( -1.437 -1.085 -2.211) 2.851 4.689 ( -0.465 0.287 -3.068) 3.116 4.953 ( -4.112 0.917 2.639) 4.971 5.787 ( -3.130 -0.430 -5.781) 6.589 9.865 ( -5.607 -0.767 0.597) 5.690 10.017 ( -9.262 -0.920 -1.913) 9.502 10.330 ( 0.424 0.521 0.355) 0.759 10.404 ( 14.620 0.799 -2.517) 14.857 10.482 ( 2.273 0.040 -0.290) 2.291 10.591 ( 0.244 -0.130 2.802) 2.816======================= Grid point 207 (73/196) =======================q-point: (-0.54 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( 6.207 -0.151 5.551) 8.329 1.301 ( -6.073 -3.157 -1.746) 7.064 1.533 ( -6.593 -6.172 5.594) 10.624 1.842 ( -7.222 1.066 1.139) 7.388 1.864 ( -7.726 -2.380 2.376) 8.426 1.979 ( -1.662 -4.017 1.875) 4.734 2.179 ( -0.035 -4.127 -0.483) 4.155 2.639 ( -2.500 1.973 -3.654) 4.847 3.127 ( 3.403 1.016 11.318) 11.862 3.313 ( -7.519 5.230 -0.030) 9.160 3.343 ( 1.803 4.155 2.404) 5.128 3.465 ( -4.074 -0.209 0.328) 4.093 3.586 ( 5.093 0.815 -0.618) 5.195 3.853 ( 2.846 -1.869 2.254) 4.083 4.299 ( -1.489 -1.748 -2.319) 3.263 4.646 ( -4.098 0.502 -2.731) 4.950 4.769 ( -14.193 2.274 3.062) 14.697 5.718 ( -3.868 -1.140 -6.462) 7.617 9.748 ( -8.608 -2.201 0.580) 8.904 9.854 ( -7.572 -2.119 -1.984) 8.109 10.341 ( 0.838 -0.212 2.607) 2.746 10.562 ( 6.336 0.501 -1.614) 6.557 10.607 ( 2.250 -0.200 2.580) 3.430 10.698 ( 15.979 2.492 -3.206) 16.487======================= Grid point 208 (74/196) =======================q-point: (-0.46 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 3.346 -0.269 2.992) 4.497 1.199 ( -3.755 -1.933 4.521) 6.187 1.413 ( -10.529 -6.441 5.847) 13.658 1.648 ( -11.177 3.287 2.340) 11.883 1.809 ( -0.589 -6.787 1.308) 6.937 1.989 ( -0.692 -5.939 -0.697) 6.020 2.212 ( 0.606 -6.407 1.125) 6.533 2.538 ( -7.132 2.551 -2.206) 7.890 3.094 ( -10.809 6.157 0.750) 12.463 3.197 ( 4.581 1.891 7.368) 8.880 3.355 ( -5.560 1.158 1.873) 5.980 3.360 ( -0.566 2.007 2.421) 3.195 3.668 ( 3.539 1.171 -1.106) 3.888 3.874 ( -2.764 -0.341 1.658) 3.242 4.280 ( -1.875 -0.378 -2.851) 3.434 4.423 ( -18.783 2.108 5.112) 19.580 4.554 ( -5.233 -0.125 -2.774) 5.924 5.678 ( -0.653 -0.659 -7.524) 7.581 9.566 ( -10.925 -0.232 0.170) 10.929 9.753 ( -7.000 -7.233 -3.612) 10.694 10.360 ( 0.874 -1.103 5.282) 5.467 10.639 ( 2.616 -0.240 3.182) 4.126 10.730 ( 10.311 0.761 -1.968) 10.524 10.978 ( 15.824 4.731 -4.361) 17.082======================= Grid point 209 (75/196) =======================q-point: (-0.38 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( -8.616 -0.216 5.453) 10.199 1.176 ( -11.409 -0.617 6.829) 13.311 1.308 ( 0.185 -0.712 9.129) 9.159 1.426 ( -6.201 5.742 1.400) 8.566 1.874 ( 1.416 -7.923 0.779) 8.086 2.015 ( 0.024 -7.940 -4.683) 9.218 2.247 ( -1.597 -5.266 0.562) 5.532 2.336 ( -12.570 4.739 -0.003) 13.434 2.896 ( -6.564 0.633 3.157) 7.311 3.192 ( -9.407 -0.049 1.338) 9.502 3.261 ( 1.702 2.142 2.213) 3.519 3.356 ( -0.175 0.862 6.798) 6.855 3.662 ( -5.211 2.213 -4.616) 7.304 3.720 ( -12.865 0.425 0.584) 12.885 4.064 ( -11.397 3.687 7.602) 14.187 4.281 ( -1.378 0.129 -0.487) 1.467 4.507 ( 0.159 -1.036 -3.312) 3.474 5.699 ( 2.588 0.768 -8.444) 8.865 9.351 ( -11.962 0.179 0.019) 11.964 9.638 ( -11.157 -10.752 -6.810) 16.925 10.386 ( 0.851 -2.625 7.926) 8.393 10.693 ( 2.831 -0.725 4.812) 5.630 10.940 ( 12.496 2.075 -3.054) 13.030 11.246 ( 16.380 6.795 -5.179) 18.474======================= Grid point 210 (76/196) =======================q-point: (-0.31 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( -6.987 3.508 10.346) 12.968 0.924 ( -13.208 2.704 9.811) 16.674 1.141 ( -8.887 6.953 8.762) 14.286 1.479 ( 5.303 0.799 1.824) 5.665 1.835 ( -9.967 9.445 6.169) 15.054 2.068 ( -2.597 -6.669 -5.579) 9.074 2.095 ( -5.221 -2.157 -1.541) 5.856 2.193 ( -4.005 -4.735 -2.696) 6.763 2.855 ( -2.750 -9.564 4.587) 10.958 3.004 ( -10.562 -0.988 0.826) 10.640 3.172 ( -10.241 -0.441 0.275) 10.254 3.373 ( 0.322 1.203 7.668) 7.768 3.420 ( -11.451 -0.352 3.016) 11.847 3.545 ( -4.485 4.780 -6.192) 9.017 3.962 ( -1.044 -0.162 7.133) 7.210 4.246 ( -1.138 4.713 0.888) 4.929 4.551 ( 3.295 -0.849 -3.419) 4.823 5.756 ( 4.138 2.307 -9.464) 10.583 9.125 ( -11.674 -0.127 -0.244) 11.677 9.428 ( -18.598 -12.584 -10.016) 24.588 10.421 ( 0.697 -4.873 10.487) 11.585 10.749 ( 2.562 -1.167 6.430) 7.019 11.157 ( 11.604 3.405 -3.997) 12.737 11.526 ( 18.090 8.685 -6.682) 21.150======================= Grid point 211 (77/196) =======================q-point: (-0.23 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( -7.295 12.569 8.225) 16.698 0.745 ( -3.126 8.156 17.672) 19.713 1.011 ( -1.973 -1.094 13.556) 13.742 1.339 ( -17.173 20.420 8.002) 27.855 1.662 ( 2.964 2.066 6.051) 7.047 1.973 ( -7.486 -0.403 -4.145) 8.566 2.089 ( 1.196 -4.720 -4.469) 6.609 2.255 ( 2.450 -11.297 -2.965) 11.934 2.790 ( -8.726 -8.868 0.685) 12.460 2.823 ( -9.541 -3.496 -1.105) 10.221 2.989 ( -7.446 1.207 4.648) 8.860 3.281 ( -0.421 -1.811 2.316) 2.970 3.432 ( 2.479 0.045 6.142) 6.624 3.473 ( -1.982 3.039 -4.529) 5.803 3.968 ( 0.113 -4.322 4.828) 6.481 4.189 ( -0.843 9.376 4.703) 10.524 4.618 ( 3.019 -0.419 -3.561) 4.687 5.823 ( 4.649 3.668 -11.815) 13.216 8.938 ( -8.168 -0.924 -0.782) 8.257 9.069 ( -24.772 -8.648 -8.400) 27.550 10.465 ( 0.447 -7.906 12.746) 15.005 10.797 ( 1.589 -1.797 8.202) 8.546 11.314 ( 6.882 4.157 -4.652) 9.289 11.820 ( 17.429 9.069 -11.599) 22.815======================= Grid point 212 (78/196) =======================q-point: (-0.15 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( 0.000 13.057 11.459) 17.372 0.660 ( 0.000 19.739 10.560) 22.386 0.936 ( 0.000 16.524 18.634) 24.905 1.115 ( -0.000 -9.211 19.415) 21.489 1.711 ( -0.000 -1.081 5.966) 6.063 1.891 ( -0.000 -0.004 -6.278) 6.278 2.128 ( -0.000 -3.797 -4.936) 6.227 2.341 ( -0.000 -9.971 -2.411) 10.259 2.732 ( -0.000 -4.839 -1.640) 5.109 2.737 ( -0.000 -5.434 -0.479) 5.455 2.907 ( 0.000 1.755 6.154) 6.399 3.306 ( 0.000 1.196 -0.037) 1.197 3.426 ( 0.000 2.690 -1.803) 3.239 3.468 ( -0.000 -1.250 0.771) 1.469 4.005 ( -0.000 -5.698 2.256) 6.128 4.128 ( 0.000 7.835 11.719) 14.097 4.653 ( -0.000 -0.170 -3.956) 3.960 5.860 ( 0.000 4.856 -15.572) 16.312 8.752 ( 0.000 0.156 0.651) 0.670 8.874 ( 0.000 0.006 -0.676) 0.676 10.522 ( -0.000 -11.567 13.595) 17.849 10.825 ( -0.000 -2.999 10.156) 10.589 11.358 ( 0.000 3.890 -4.815) 6.190 11.977 ( 0.000 9.143 -19.164) 21.234======================= Grid point 217 (79/196) =======================q-point: ( 0.23 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -2.640 0.000 3.961) 4.761 1.425 ( 0.716 -0.000 -0.789) 1.066 1.787 ( -7.687 0.000 0.481) 7.702 1.967 ( 3.176 -0.000 0.335) 3.193 1.995 ( -3.703 0.000 -2.460) 4.445 2.105 ( 2.947 -0.000 0.397) 2.973 2.200 ( -8.372 0.000 3.629) 9.125 2.630 ( 2.525 -0.000 -4.430) 5.099 3.108 ( -2.296 0.000 16.403) 16.563 3.205 ( 8.603 -0.000 3.114) 9.150 3.247 ( 9.128 -0.000 -2.643) 9.503 3.501 ( -1.331 0.000 0.170) 1.342 3.543 ( 1.196 -0.000 1.246) 1.727 3.849 ( -3.684 0.000 2.440) 4.419 4.333 ( -0.457 0.000 -2.341) 2.385 4.673 ( 2.077 -0.000 -3.193) 3.809 4.929 ( 6.902 -0.000 2.782) 7.442 5.811 ( 0.809 -0.000 -5.869) 5.925 9.975 ( -4.986 0.000 -2.253) 5.471 10.038 ( 10.576 -0.000 -1.452) 10.675 10.259 ( -4.679 0.000 -2.888) 5.499 10.366 ( -3.464 0.000 3.104) 4.651 10.477 ( -1.749 0.000 -0.841) 1.941 10.602 ( -1.382 0.000 3.595) 3.852======================= Grid point 218 (80/196) =======================q-point: (-0.69 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 2.255 -0.040 5.213) 5.680 1.382 ( -5.224 -0.301 -3.108) 6.086 1.622 ( -8.345 -0.285 5.249) 9.863 1.929 ( -3.211 -0.147 -0.772) 3.305 1.985 ( -2.185 0.642 0.515) 2.335 2.023 ( -9.464 -1.837 4.577) 10.672 2.142 ( 0.429 -0.631 -1.295) 1.503 2.668 ( 1.228 0.434 -4.161) 4.360 3.092 ( 0.756 -0.007 15.056) 15.075 3.330 ( 5.543 3.143 3.317) 7.184 3.397 ( 4.166 -1.860 -2.216) 5.072 3.513 ( 2.530 0.421 -1.483) 2.963 3.528 ( -2.442 0.264 -0.235) 2.467 3.796 ( -0.982 -0.560 3.667) 3.837 4.311 ( -1.739 -0.471 -2.181) 2.828 4.691 ( -0.298 0.106 -3.042) 3.059 4.961 ( -3.652 0.372 2.581) 4.487 5.784 ( -3.460 -0.158 -5.762) 6.723 9.860 ( -6.874 -0.205 0.764) 6.919 10.010 ( -8.734 -0.371 -1.897) 8.946 10.333 ( -0.221 0.157 0.846) 0.889 10.410 ( 15.738 0.292 -3.068) 16.037 10.482 ( 2.314 0.004 -0.388) 2.346 10.590 ( 0.094 -0.040 2.739) 2.741======================= Grid point 219 (81/196) =======================q-point: (-0.62 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 6.291 -0.060 6.229) 8.853 1.268 ( -6.839 -2.630 -2.338) 7.691 1.485 ( -7.565 -2.725 6.991) 10.655 1.839 ( -8.710 -1.260 1.697) 8.962 1.864 ( -5.114 2.123 2.547) 6.094 1.936 ( -3.445 -3.802 2.590) 5.747 2.144 ( -0.770 -2.279 -1.282) 2.726 2.656 ( -2.361 1.110 -3.808) 4.616 3.135 ( 3.673 0.499 11.868) 12.433 3.355 ( -7.560 2.474 -0.589) 7.976 3.382 ( 2.089 2.903 2.399) 4.306 3.464 ( -4.045 -0.009 0.140) 4.047 3.593 ( 5.298 0.529 -1.163) 5.450 3.835 ( 3.385 -1.361 2.230) 4.276 4.282 ( -1.599 -1.253 -2.156) 2.963 4.650 ( -4.255 0.268 -2.619) 5.004 4.790 ( -13.722 1.463 2.868) 14.094 5.709 ( -3.905 -0.674 -6.463) 7.581 9.727 ( -7.966 -1.429 0.999) 8.155 9.839 ( -9.132 -0.854 -1.639) 9.317 10.339 ( 0.603 -0.084 2.601) 2.671 10.567 ( 6.803 0.356 -1.511) 6.977 10.604 ( 1.584 -0.275 2.632) 3.084 10.719 ( 16.810 1.318 -4.227) 17.383======================= Grid point 220 (82/196) =======================q-point: (-0.54 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 2.327 0.345 3.406) 4.139 1.175 ( -1.069 -2.440 4.466) 5.201 1.357 ( -8.249 -3.786 7.443) 11.738 1.685 ( -8.722 2.905 1.296) 9.284 1.750 ( -4.166 -3.384 3.251) 6.275 1.926 ( -1.181 -5.807 1.075) 6.022 2.150 ( -0.394 -4.833 0.027) 4.849 2.561 ( -7.002 1.687 -2.672) 7.682 3.155 ( -10.853 4.904 0.475) 11.919 3.212 ( 4.627 0.937 8.570) 9.784 3.354 ( -7.374 -0.010 1.226) 7.475 3.388 ( -0.122 1.905 2.171) 2.890 3.680 ( 3.787 1.042 -2.272) 4.537 3.869 ( -2.063 -0.494 1.537) 2.620 4.270 ( -0.487 -1.217 -2.237) 2.593 4.452 ( -19.040 2.806 4.413) 19.745 4.550 ( -6.217 -0.682 -2.434) 6.711 5.672 ( -0.057 -0.488 -7.686) 7.701 9.563 ( -10.225 -0.284 0.318) 10.233 9.689 ( -8.753 -4.619 -2.019) 10.101 10.352 ( 0.554 -0.520 4.907) 4.965 10.637 ( 2.322 -0.194 3.105) 3.881 10.738 ( 10.933 0.591 -2.186) 11.165 11.018 ( 16.249 2.754 -5.507) 17.377======================= Grid point 221 (83/196) =======================q-point: (-0.46 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -7.504 0.507 5.597) 9.375 1.186 ( -7.997 2.615 6.904) 10.884 1.305 ( 4.763 -0.035 8.945) 10.134 1.493 ( -7.325 6.514 2.841) 10.206 1.771 ( 1.357 -10.506 -0.118) 10.594 1.940 ( -0.660 -6.197 -1.931) 6.524 2.180 ( -0.542 -6.802 1.057) 6.905 2.378 ( -11.107 3.011 -0.732) 11.531 2.925 ( -10.067 4.204 2.511) 11.195 3.191 ( -9.863 -0.108 1.317) 9.952 3.277 ( 0.886 0.765 2.907) 3.133 3.360 ( -1.621 -0.161 6.387) 6.592 3.686 ( -5.400 2.135 -4.447) 7.314 3.723 ( -11.250 0.218 -0.440) 11.260 4.100 ( -13.204 2.952 6.650) 15.076 4.283 ( 0.726 0.071 -0.026) 0.729 4.494 ( 0.015 -1.299 -3.190) 3.444 5.706 ( 3.306 0.539 -8.861) 9.473 9.353 ( -12.010 0.252 -0.054) 12.013 9.536 ( -11.906 -8.039 -3.574) 14.804 10.366 ( 0.455 -1.287 7.115) 7.245 10.686 ( 2.677 -0.533 4.161) 4.977 10.962 ( 13.261 1.826 -3.033) 13.725 11.303 ( 16.365 3.962 -6.674) 18.112======================= Grid point 222 (84/196) =======================q-point: (-0.38 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -7.359 -0.072 12.479) 14.487 1.004 ( -6.261 11.438 5.506) 14.154 1.232 ( -6.894 9.661 9.364) 15.118 1.484 ( 5.010 0.170 2.249) 5.494 1.855 ( 0.084 -5.995 2.265) 6.409 1.979 ( 0.940 -7.731 -4.441) 8.965 2.122 ( -10.956 4.690 0.738) 11.940 2.158 ( -6.311 -1.857 -1.516) 6.751 2.775 ( -6.038 -4.659 5.076) 9.162 2.993 ( -11.384 -0.975 -0.038) 11.426 3.156 ( -11.288 -2.672 0.828) 11.629 3.383 ( -0.529 0.707 7.756) 7.806 3.409 ( -12.479 -1.524 4.114) 13.228 3.595 ( -4.693 4.203 -6.597) 9.122 3.962 ( -2.613 0.113 4.765) 5.436 4.294 ( 1.403 4.024 1.525) 4.526 4.541 ( 3.489 -1.011 -3.421) 4.990 5.776 ( 4.520 1.503 -10.120) 11.185 9.123 ( -12.182 -0.413 -0.363) 12.195 9.311 ( -17.309 -8.979 -4.986) 20.127 10.383 ( 0.331 -2.404 9.214) 9.528 10.739 ( 2.438 -0.845 5.310) 5.903 11.194 ( 12.447 3.470 -3.949) 13.511 11.593 ( 16.987 4.195 -8.288) 19.361======================= Grid point 223 (85/196) =======================q-point: (-0.31 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( -6.265 1.393 18.186) 19.286 0.878 ( 2.284 16.559 5.128) 17.485 1.066 ( -4.510 10.623 10.171) 15.383 1.512 ( -4.931 9.422 2.069) 10.834 1.714 ( -5.686 9.180 7.995) 13.436 1.966 ( -7.145 -0.845 -2.527) 7.625 2.040 ( 1.912 -4.887 -3.244) 6.169 2.133 ( 1.857 -10.377 -2.038) 10.738 2.688 ( -7.978 -9.542 1.679) 12.551 2.792 ( -10.098 -2.624 -2.837) 10.812 2.998 ( -6.197 0.083 5.460) 8.259 3.224 ( -4.118 -8.137 4.110) 10.003 3.434 ( 1.971 0.393 7.634) 7.895 3.506 ( -3.029 2.917 -3.696) 5.599 3.939 ( -0.754 -1.270 1.688) 2.243 4.285 ( 1.019 8.205 3.552) 8.998 4.611 ( 3.016 -0.736 -3.580) 4.739 5.852 ( 4.238 1.699 -12.242) 13.065 8.920 ( -10.561 -2.421 -1.097) 10.890 9.003 ( -16.844 -3.725 -3.030) 17.515 10.405 ( 0.193 -3.870 11.130) 11.785 10.782 ( 1.490 -1.156 6.481) 6.750 11.363 ( 7.431 4.877 -4.684) 10.047 11.878 ( 14.298 2.448 -11.771) 18.681======================= Grid point 224 (86/196) =======================q-point: (-0.23 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 0.000 8.045 16.867) 18.688 0.879 ( 0.000 20.708 7.390) 21.987 0.950 ( -0.000 -1.078 10.553) 10.608 1.273 ( 0.000 25.353 13.591) 28.766 1.695 ( -0.000 -1.514 4.712) 4.949 1.888 ( -0.000 -0.570 -4.912) 4.945 2.089 ( -0.000 -3.937 -3.051) 4.981 2.224 ( -0.000 -11.304 -1.251) 11.373 2.645 ( -0.000 -9.267 -0.513) 9.281 2.701 ( -0.000 -3.020 -3.375) 4.529 2.927 ( 0.000 1.817 6.954) 7.187 3.264 ( -0.000 -9.146 2.151) 9.395 3.455 ( 0.000 2.691 -1.761) 3.216 3.455 ( -0.000 -0.576 6.066) 6.094 3.944 ( -0.000 -3.407 2.560) 4.262 4.242 ( 0.000 10.750 4.977) 11.846 4.647 ( -0.000 -0.785 -3.752) 3.833 5.893 ( 0.000 1.558 -14.825) 14.907 8.754 ( 0.000 0.190 0.637) 0.664 8.875 ( 0.000 0.006 -0.672) 0.672 10.432 ( -0.000 -5.752 12.564) 13.818 10.803 ( -0.000 -1.480 7.513) 7.658 11.407 ( 0.000 5.126 -4.879) 7.077 12.027 ( 0.000 1.189 -16.019) 16.063======================= Grid point 231 (87/196) =======================q-point: (-0.69 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 6.350 -0.000 6.497) 9.085 1.252 ( -7.287 0.000 -2.387) 7.668 1.471 ( -7.812 0.000 7.283) 10.680 1.832 ( -8.854 0.000 2.229) 9.131 1.886 ( -2.087 0.000 2.184) 3.021 1.905 ( -6.507 0.000 2.989) 7.160 2.132 ( -1.043 0.000 -1.589) 1.900 2.662 ( -2.317 0.000 -3.872) 4.512 3.137 ( 3.746 -0.000 12.016) 12.586 3.368 ( -6.793 0.000 -0.859) 6.847 3.399 ( 1.443 -0.000 2.594) 2.968 3.464 ( -4.129 0.000 0.022) 4.129 3.596 ( 5.376 -0.000 -1.343) 5.542 3.827 ( 3.628 -0.000 2.200) 4.243 4.275 ( -1.649 0.000 -2.092) 2.664 4.651 ( -4.301 0.000 -2.584) 5.018 4.798 ( -13.555 0.000 2.796) 13.841 5.705 ( -3.919 0.000 -6.463) 7.559 9.719 ( -7.871 0.000 1.157) 7.955 9.835 ( -9.551 0.000 -1.546) 9.675 10.339 ( 0.532 -0.000 2.596) 2.650 10.569 ( 7.071 -0.000 -1.474) 7.223 10.602 ( 1.307 -0.000 2.611) 2.920 10.726 ( 17.028 -0.000 -4.530) 17.620======================= Grid point 233 (88/196) =======================q-point: (-0.62 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -0.037 1.096 2.878) 3.080 1.150 ( 3.048 -1.995 5.311) 6.440 1.331 ( -7.070 -1.153 8.025) 10.756 1.690 ( -6.238 -0.934 0.520) 6.329 1.754 ( -7.995 2.419 5.197) 9.838 1.870 ( -1.138 -3.744 1.994) 4.392 2.113 ( -1.160 -1.754 -0.993) 2.325 2.574 ( -6.993 0.590 -2.936) 7.607 3.193 ( -10.539 1.911 0.186) 10.712 3.218 ( 4.580 0.261 8.964) 10.070 3.355 ( -7.382 0.124 1.242) 7.487 3.400 ( -1.125 0.440 2.114) 2.434 3.689 ( 3.996 0.436 -2.840) 4.922 3.865 ( -1.640 -0.235 1.417) 2.180 4.259 ( -0.040 -0.558 -1.740) 1.828 4.476 ( -19.153 1.477 4.011) 19.624 4.541 ( -6.484 -0.636 -2.380) 6.936 5.668 ( 0.289 -0.181 -7.776) 7.783 9.560 ( -9.538 -0.157 0.475) 9.551 9.656 ( -9.995 -1.543 -1.328) 10.201 10.348 ( 0.422 -0.153 4.718) 4.739 10.635 ( 2.184 -0.072 3.048) 3.751 10.742 ( 11.284 0.224 -2.284) 11.515 11.037 ( 16.401 0.896 -6.069) 17.511======================= Grid point 234 (89/196) =======================q-point: (-0.54 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -7.435 0.336 5.826) 9.452 1.227 ( -2.627 4.403 6.358) 8.168 1.304 ( 7.046 -0.172 8.539) 11.072 1.561 ( -6.999 5.730 3.963) 9.875 1.666 ( -1.378 -8.400 0.317) 8.518 1.880 ( -0.345 -4.832 0.581) 4.879 2.115 ( -0.677 -4.691 0.331) 4.751 2.401 ( -10.494 1.356 -1.376) 10.670 2.972 ( -10.864 3.859 1.780) 11.665 3.191 ( -9.934 0.168 1.320) 10.022 3.278 ( -1.260 -0.368 2.459) 2.788 3.355 ( -1.748 -0.545 7.072) 7.306 3.705 ( -9.554 1.262 -1.297) 9.724 3.725 ( -6.186 0.146 -3.919) 7.324 4.125 ( -14.721 1.727 5.917) 15.960 4.283 ( 2.176 0.037 0.365) 2.207 4.481 ( 0.120 -0.971 -3.071) 3.223 5.710 ( 3.735 0.267 -9.117) 9.856 9.356 ( -12.136 0.310 -0.152) 12.141 9.469 ( -12.123 -4.375 -1.700) 12.999 10.357 ( 0.276 -0.532 6.612) 6.639 10.682 ( 2.592 -0.282 3.763) 4.578 10.978 ( 13.847 1.088 -3.008) 14.211 11.333 ( 16.103 1.761 -7.508) 17.854======================= Grid point 235 (90/196) =======================q-point: (-0.46 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.871 ( -8.233 -0.442 11.830) 14.419 1.145 ( -0.761 13.962 3.593) 14.437 1.339 ( -3.202 9.640 9.954) 14.222 1.485 ( 3.069 -0.023 3.062) 4.335 1.743 ( 2.144 -12.726 -1.842) 13.036 1.914 ( 1.295 -4.923 0.506) 5.115 2.108 ( -3.889 -4.010 -1.318) 5.740 2.190 ( -9.791 3.835 1.220) 10.586 2.765 ( -9.083 2.580 4.509) 10.464 2.986 ( -12.111 -0.358 -0.568) 12.130 3.113 ( -13.298 -5.301 0.911) 14.345 3.386 ( -12.317 -0.458 5.347) 13.436 3.396 ( -2.491 -0.401 7.425) 7.841 3.633 ( -5.218 2.788 -6.548) 8.825 3.964 ( -3.270 0.181 2.977) 4.426 4.330 ( 3.190 2.640 2.044) 4.618 4.531 ( 3.751 -0.803 -3.414) 5.135 5.788 ( 4.547 0.765 -10.455) 11.427 9.116 ( -13.124 -0.778 -0.444) 13.154 9.237 ( -15.257 -4.782 -2.184) 16.138 10.365 ( 0.165 -1.112 8.289) 8.365 10.731 ( 2.368 -0.529 4.592) 5.193 11.228 ( 13.290 2.699 -3.903) 14.112 11.622 ( 15.630 1.528 -9.067) 18.134======================= Grid point 236 (91/196) =======================q-point: (-0.38 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( -5.412 -0.902 17.629) 18.463 1.062 ( 1.338 17.064 1.743) 17.205 1.210 ( -2.145 15.079 9.572) 17.989 1.548 ( 1.940 -0.423 0.151) 1.991 1.797 ( -3.083 -0.074 1.666) 3.505 1.960 ( -3.299 -4.883 -0.595) 5.923 1.996 ( -4.513 4.873 2.047) 6.950 2.063 ( 0.869 -2.843 -0.278) 2.986 2.601 ( -9.043 -5.730 2.391) 10.969 2.767 ( -10.431 -2.047 -4.111) 11.398 2.977 ( -3.900 -5.186 5.580) 8.558 3.132 ( -10.139 -7.439 6.236) 14.037 3.439 ( 1.823 0.375 8.123) 8.334 3.533 ( -3.777 2.091 -3.115) 5.323 3.935 ( -0.528 0.298 -1.237) 1.377 4.361 ( 2.230 5.809 3.401) 7.091 4.603 ( 3.078 -0.613 -3.606) 4.780 5.863 ( 3.561 0.520 -12.107) 12.631 8.892 ( -11.678 -2.495 -0.608) 11.957 8.981 ( -11.732 -0.976 -1.220) 11.836 10.375 ( 0.088 -1.859 9.708) 9.884 10.771 ( 1.444 -0.781 5.432) 5.675 11.415 ( 8.108 4.643 -4.739) 10.476 11.884 ( 11.765 -0.700 -11.333) 16.351======================= Grid point 237 (92/196) =======================q-point: (-0.31 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( 0.000 0.247 20.630) 20.631 1.012 ( 0.000 11.406 4.221) 12.162 1.096 ( 0.000 19.526 5.357) 20.248 1.516 ( 0.000 15.235 4.662) 15.932 1.706 ( 0.000 6.702 5.529) 8.688 1.876 ( -0.000 -1.885 -3.266) 3.772 2.029 ( -0.000 -7.596 -1.208) 7.691 2.124 ( -0.000 -6.012 2.028) 6.345 2.543 ( -0.000 -9.392 -0.443) 9.403 2.671 ( -0.000 -2.486 -5.168) 5.736 2.945 ( 0.000 1.445 7.545) 7.682 3.125 ( -0.000 -15.903 5.790) 16.924 3.455 ( 0.000 0.241 7.703) 7.707 3.482 ( 0.000 2.165 -1.742) 2.779 3.929 ( 0.000 0.084 -1.389) 1.392 4.344 ( 0.000 8.125 3.992) 9.052 4.638 ( -0.000 -0.712 -3.699) 3.767 5.900 ( 0.000 0.039 -13.650) 13.650 8.756 ( 0.000 0.180 0.621) 0.646 8.875 ( 0.000 0.005 -0.666) 0.666 10.389 ( -0.000 -2.781 10.740) 11.094 10.790 ( -0.000 -1.003 6.118) 6.199 11.465 ( 0.000 5.551 -5.007) 7.476 12.018 ( -0.000 -2.306 -13.587) 13.781======================= Grid point 246 (93/196) =======================q-point: (-0.62 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( -7.593 0.000 5.917) 9.627 1.257 ( 0.212 -0.000 6.197) 6.200 1.301 ( 8.117 -0.000 8.114) 11.478 1.604 ( -2.547 0.000 -1.831) 3.137 1.608 ( -7.711 0.000 7.161) 10.523 1.850 ( -0.037 0.000 1.565) 1.565 2.088 ( -0.957 0.000 -0.328) 1.012 2.408 ( -10.372 0.000 -1.611) 10.496 2.995 ( -10.732 0.000 1.449) 10.829 3.193 ( -9.872 0.000 1.435) 9.976 3.274 ( -2.768 0.000 1.954) 3.389 3.352 ( -1.307 0.000 7.598) 7.710 3.712 ( -14.646 0.000 2.411) 14.843 3.726 ( -0.787 0.000 -7.696) 7.736 4.135 ( -15.348 0.000 5.643) 16.353 4.283 ( 2.691 -0.000 0.514) 2.740 4.475 ( 0.232 -0.000 -3.019) 3.028 5.712 ( 3.874 -0.000 -9.203) 9.985 9.358 ( -12.241 0.000 -0.225) 12.243 9.445 ( -12.105 0.000 -1.061) 12.152 10.354 ( 0.224 -0.000 6.448) 6.452 10.680 ( 2.565 -0.000 3.628) 4.443 10.984 ( 14.069 -0.000 -2.996) 14.385 11.342 ( 15.968 -0.000 -7.778) 17.762======================= Grid point 248 (94/196) =======================q-point: (-0.54 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( -8.496 -0.174 11.352) 14.180 1.279 ( 2.545 9.050 2.961) 9.857 1.419 ( 3.292 4.262 7.399) 9.151 1.487 ( -2.363 0.541 7.063) 7.467 1.617 ( 1.410 -8.750 -3.701) 9.605 1.871 ( 1.410 -2.635 2.715) 4.037 2.072 ( -1.883 -2.085 -0.638) 2.881 2.215 ( -8.939 1.004 0.291) 9.000 2.806 ( -8.441 3.348 3.806) 9.847 2.989 ( -12.091 1.034 -0.100) 12.136 3.053 ( -17.155 -4.740 0.289) 17.800 3.380 ( -18.582 -0.363 4.520) 19.127 3.396 ( 2.978 0.077 8.744) 9.237 3.653 ( -5.639 0.967 -6.441) 8.615 3.965 ( -3.446 0.081 2.028) 3.999 4.349 ( 4.094 0.914 2.322) 4.795 4.525 ( 3.956 -0.303 -3.405) 5.228 5.793 ( 4.487 0.225 -10.581) 11.496 9.108 ( -14.004 -0.486 -0.397) 14.019 9.205 ( -13.660 -1.341 -1.055) 13.766 10.358 ( 0.099 -0.325 7.845) 7.852 10.727 ( 2.334 -0.181 4.230) 4.834 11.249 ( 13.853 1.037 -3.864) 14.419 11.631 ( 14.732 0.315 -9.408) 17.483======================= Grid point 249 (95/196) =======================q-point: (-0.46 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( -5.480 -0.584 16.252) 17.161 1.233 ( 0.057 14.144 2.397) 14.346 1.366 ( -0.140 12.899 7.657) 15.001 1.530 ( 2.169 -2.635 0.876) 3.523 1.717 ( 2.475 -10.525 -4.474) 11.701 1.898 ( -2.309 -4.973 1.241) 5.621 2.045 ( -0.401 -0.475 2.531) 2.606 2.093 ( -1.851 7.458 3.324) 8.372 2.587 ( -12.923 3.976 2.670) 13.782 2.746 ( -10.423 -2.245 -4.476) 11.563 2.878 ( -5.361 -11.659 5.727) 14.052 3.087 ( -12.093 -1.578 7.370) 14.250 3.442 ( 1.765 0.186 8.253) 8.441 3.550 ( -4.195 1.060 -2.779) 5.143 3.940 ( -0.187 0.459 -2.929) 2.971 4.408 ( 2.904 2.986 3.424) 5.392 4.598 ( 3.171 -0.318 -3.623) 4.825 5.865 ( 3.071 0.067 -11.892) 12.282 8.871 ( -10.940 -1.301 -0.022) 11.017 8.975 ( -10.181 -0.253 -0.841) 10.219 10.362 ( 0.042 -0.763 8.905) 8.938 10.765 ( 1.420 -0.401 4.816) 5.037 11.458 ( 8.768 3.012 -4.756) 10.420 11.872 ( 10.053 -1.263 -11.032) 14.979======================= Grid point 250 (96/196) =======================q-point: (-0.38 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( -0.000 -0.908 19.205) 19.226 1.157 ( 0.000 14.230 4.191) 14.835 1.290 ( 0.000 16.051 3.992) 16.540 1.565 ( -0.000 -1.417 -0.811) 1.632 1.797 ( -0.000 -0.321 -2.520) 2.541 1.846 ( -0.000 -3.736 -1.639) 4.080 2.000 ( 0.000 7.863 7.341) 10.757 2.094 ( 0.000 0.625 4.866) 4.906 2.452 ( -0.000 -7.158 -0.429) 7.171 2.648 ( -0.000 -1.650 -6.636) 6.838 2.940 ( -0.000 -17.707 8.457) 19.623 2.958 ( 0.000 0.911 7.942) 7.995 3.458 ( 0.000 0.216 8.061) 8.064 3.501 ( 0.000 1.374 -1.726) 2.206 3.936 ( 0.000 0.843 -3.753) 3.846 4.415 ( 0.000 5.002 3.783) 6.272 4.632 ( -0.000 -0.417 -3.702) 3.725 5.898 ( -0.000 -0.371 -12.803) 12.809 8.757 ( 0.000 0.128 0.607) 0.621 8.875 ( 0.000 0.003 -0.662) 0.662 10.368 ( -0.000 -1.281 9.562) 9.647 10.782 ( -0.000 -0.616 5.258) 5.294 11.521 ( 0.000 4.683 -5.117) 6.937 11.987 ( -0.000 -3.079 -12.227) 12.609======================= Grid point 261 (97/196) =======================q-point: (-0.54 0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( -5.526 0.000 15.769) 16.710 1.327 ( -0.747 0.000 4.020) 4.089 1.451 ( -0.506 0.000 6.246) 6.267 1.504 ( 2.495 -0.000 2.093) 3.257 1.643 ( 4.307 -0.000 -6.890) 8.126 1.867 ( -2.487 0.000 1.488) 2.898 2.042 ( 0.021 -0.000 3.729) 3.729 2.133 ( 1.102 -0.000 2.514) 2.745 2.655 ( -20.085 0.000 0.335) 20.088 2.704 ( -4.903 0.000 0.885) 4.982 2.798 ( -7.679 0.000 3.110) 8.285 3.080 ( -11.793 0.000 7.545) 14.000 3.443 ( 1.747 -0.000 8.277) 8.459 3.555 ( -4.325 0.000 -2.672) 5.084 3.943 ( -0.057 0.000 -3.470) 3.471 4.424 ( 3.124 -0.000 3.443) 4.649 4.597 ( 3.213 -0.000 -3.628) 4.846 5.866 ( 2.898 -0.000 -11.801) 12.152 8.864 ( -10.537 0.000 0.175) 10.538 8.974 ( -9.846 0.000 -0.772) 9.876 10.358 ( 0.028 -0.000 8.652) 8.652 10.763 ( 1.412 -0.000 4.609) 4.820 11.475 ( 9.074 -0.000 -4.745) 10.240 11.864 ( 9.408 -0.000 -10.949) 14.436======================= Grid point 263 (98/196) =======================q-point: (-0.46 0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.678 ( -0.000 -0.343 18.079) 18.083 1.290 ( 0.000 8.684 5.641) 10.356 1.422 ( 0.000 7.420 3.170) 8.069 1.536 ( -0.000 -2.955 0.018) 2.955 1.737 ( -0.000 -5.037 -8.978) 10.294 1.804 ( -0.000 -2.981 -0.500) 3.022 2.053 ( 0.000 0.444 9.652) 9.662 2.186 ( 0.000 10.654 5.127) 11.823 2.398 ( -0.000 -2.683 -0.444) 2.720 2.636 ( -0.000 -0.580 -7.479) 7.501 2.775 ( -0.000 -10.668 10.820) 15.195 2.964 ( 0.000 0.310 8.142) 8.148 3.459 ( 0.000 0.071 8.140) 8.140 3.511 ( 0.000 0.469 -1.718) 1.781 3.943 ( 0.000 0.383 -4.784) 4.800 4.451 ( 0.000 1.691 3.741) 4.106 4.629 ( -0.000 -0.130 -3.710) 3.713 5.894 ( -0.000 -0.188 -12.377) 12.378 8.758 ( 0.000 0.046 0.600) 0.601 8.875 ( 0.000 0.001 -0.659) 0.659 10.359 ( -0.000 -0.374 9.019) 9.026 10.777 ( -0.000 -0.209 4.830) 4.835 11.559 ( 0.000 1.950 -5.150) 5.507 11.960 ( -0.000 -1.460 -11.667) 11.758======================= Grid point 350 (99/196) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( 0.000 0.000 16.322) 16.322 0.759 ( 0.000 0.000 18.150) 18.150 1.181 ( 0.000 0.000 20.888) 20.888 1.460 ( 0.000 0.000 -7.276) 7.276 1.691 ( 0.000 0.000 -11.972) 11.972 1.712 ( 0.000 0.000 0.813) 0.813 2.220 ( 0.000 0.000 1.357) 1.357 2.370 ( 0.000 0.000 -4.165) 4.165 2.794 ( 0.000 0.000 0.168) 0.168 2.802 ( 0.000 0.000 0.100) 0.100 3.001 ( 0.000 0.000 6.384) 6.384 3.250 ( 0.000 0.000 3.857) 3.857 3.335 ( 0.000 0.000 -3.638) 3.638 3.410 ( 0.000 0.000 -2.104) 2.104 4.030 ( 0.000 0.000 7.357) 7.357 4.526 ( 0.000 0.000 14.929) 14.929 4.533 ( 0.000 0.000 -6.376) 6.376 5.527 ( 0.000 0.000 -12.976) 12.976 8.769 ( 0.000 0.000 1.204) 1.204 8.855 ( 0.000 0.000 -1.223) 1.223 10.771 ( 0.000 0.000 2.973) 2.973 11.171 ( 0.000 0.000 -8.225) 8.225 11.181 ( 0.000 0.000 6.329) 6.329 11.539 ( 0.000 0.000 -3.851) 3.851======================= Grid point 351 (100/196) =======================q-point: ( 0.08 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( 13.209 -0.280 12.138) 17.941 0.874 ( 8.499 -3.501 14.578) 17.234 1.332 ( 13.449 -5.066 16.840) 22.139 1.363 ( -4.948 6.037 0.965) 7.865 1.614 ( -4.901 -4.889 -4.064) 8.027 1.862 ( 9.807 -1.095 -4.869) 11.004 2.156 ( -2.659 4.651 0.076) 5.358 2.326 ( -3.513 2.309 -4.738) 6.335 2.890 ( 8.422 1.449 0.876) 8.590 2.929 ( 12.346 2.707 -1.052) 12.683 3.047 ( 4.647 -0.918 4.424) 6.481 3.283 ( -0.229 -2.148 -0.207) 2.170 3.285 ( 0.142 -2.600 0.397) 2.634 3.519 ( 7.446 -1.032 1.503) 7.666 3.997 ( -2.876 -0.146 4.050) 4.969 4.470 ( -3.445 2.567 15.769) 16.344 4.515 ( -2.607 -1.152 -4.628) 5.435 5.516 ( -1.236 -0.549 -13.224) 13.293 8.933 ( 8.017 0.167 -0.736) 8.053 8.985 ( 19.317 0.625 -6.280) 20.321 10.742 ( -2.466 1.791 2.693) 4.067 11.094 ( -5.154 5.315 -2.891) 7.948 11.153 ( -4.512 -2.181 2.294) 5.512 11.452 ( -9.657 -4.701 -1.090) 10.796======================= Grid point 352 (101/196) =======================q-point: ( 0.15 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( 12.102 1.164 9.612) 15.498 1.070 ( 12.210 -3.611 7.056) 14.557 1.289 ( 1.727 3.407 6.831) 7.827 1.512 ( -3.236 -1.362 1.452) 3.800 1.721 ( 15.561 -9.958 8.211) 20.217 2.050 ( 8.717 1.220 -4.419) 9.849 2.127 ( 2.888 4.042 -1.558) 5.206 2.239 ( -2.926 4.265 -5.011) 7.201 3.007 ( 2.212 -1.224 0.460) 2.570 3.071 ( 1.173 2.198 -2.986) 3.888 3.190 ( 9.080 1.007 3.900) 9.933 3.347 ( 12.581 -0.514 -1.874) 12.731 3.433 ( 11.908 -3.165 4.743) 13.203 3.622 ( 2.101 -0.356 10.901) 11.107 3.964 ( 0.297 -0.403 -3.910) 3.942 4.408 ( -1.767 0.721 16.579) 16.688 4.461 ( -3.170 -0.336 -5.162) 6.067 5.490 ( -1.677 -0.372 -13.544) 13.652 9.126 ( 11.990 0.060 0.256) 11.993 9.346 ( 18.128 2.550 -11.404) 21.568 10.666 ( -4.252 2.458 2.114) 5.347 10.946 ( -8.009 2.427 -3.316) 9.002 11.048 ( -6.607 0.570 4.812) 8.193 11.267 ( -12.375 -5.513 1.352) 13.614======================= Grid point 353 (102/196) =======================q-point: ( 0.23 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 5.167 1.559 5.654) 7.816 1.293 ( 3.653 -3.594 1.297) 5.286 1.391 ( 9.079 0.195 6.979) 11.453 1.504 ( 7.366 1.622 5.263) 9.197 1.961 ( 5.225 -0.481 0.622) 5.283 2.081 ( -1.640 7.236 -5.395) 9.174 2.257 ( 10.897 -1.975 0.149) 11.076 2.264 ( 5.859 0.185 -1.914) 6.167 2.976 ( -2.787 0.504 0.302) 2.848 3.078 ( -0.669 -6.165 -3.094) 6.930 3.337 ( 7.643 2.488 6.560) 10.375 3.600 ( -1.112 1.332 10.274) 10.420 3.617 ( 10.832 1.783 4.644) 11.920 3.723 ( 14.046 -2.400 2.061) 14.398 4.031 ( 6.234 -2.297 -4.412) 7.976 4.405 ( 1.290 0.552 1.986) 2.432 4.427 ( 1.117 -0.587 5.916) 6.049 5.468 ( -0.339 0.189 -13.623) 13.629 9.356 ( 12.122 -0.024 0.811) 12.149 9.611 ( 11.959 3.516 -10.005) 15.984 10.566 ( -5.044 1.640 1.439) 5.496 10.779 ( -9.014 -0.250 -4.427) 10.045 10.916 ( -6.444 2.292 6.720) 9.588 11.061 ( -12.124 -3.904 1.879) 12.875======================= Grid point 354 (103/196) =======================q-point: ( 0.31 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( -3.069 -0.116 2.978) 4.278 1.307 ( 1.305 -0.779 2.340) 2.790 1.573 ( 9.483 0.023 4.290) 10.408 1.727 ( 13.746 3.522 3.119) 14.529 1.968 ( -1.379 6.084 -0.381) 6.250 2.041 ( 1.295 3.865 -3.245) 5.210 2.334 ( 1.474 2.418 -0.111) 2.834 2.440 ( 5.862 -1.836 -2.375) 6.586 2.999 ( 4.986 -4.513 1.056) 6.807 3.104 ( -0.250 -7.008 -1.792) 7.238 3.447 ( 5.208 2.264 4.724) 7.387 3.537 ( -3.272 0.594 12.015) 12.467 3.717 ( 0.551 2.034 6.467) 6.801 3.912 ( 4.780 -0.905 2.509) 5.473 4.181 ( 5.974 -1.820 -4.572) 7.740 4.449 ( 4.133 -0.668 -6.758) 7.950 4.566 ( 12.834 -0.294 11.158) 17.009 5.488 ( 2.918 0.866 -13.024) 13.375 9.574 ( 11.249 -0.002 0.611) 11.265 9.767 ( 7.211 3.594 -6.801) 10.544 10.462 ( -5.552 0.250 0.409) 5.573 10.619 ( -8.303 -1.246 -4.564) 9.557 10.785 ( -6.519 1.756 6.278) 9.219 10.862 ( -10.233 -1.174 2.317) 10.557======================= Grid point 355 (104/196) =======================q-point: ( 0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -4.924 -1.160 5.190) 7.248 1.345 ( 2.239 2.015 -1.333) 3.294 1.719 ( 6.060 2.025 2.654) 6.919 1.919 ( 6.364 4.423 2.224) 8.063 1.929 ( 1.848 1.597 -0.248) 2.455 2.044 ( 0.936 1.749 -0.784) 2.133 2.307 ( -1.078 4.931 1.679) 5.319 2.517 ( 2.175 -1.449 -3.849) 4.653 3.147 ( 1.588 -6.261 0.560) 6.483 3.170 ( 7.892 -6.509 -0.876) 10.267 3.470 ( -1.880 1.542 6.885) 7.301 3.513 ( 1.446 1.635 2.281) 3.157 3.669 ( -3.691 0.503 13.671) 14.169 3.944 ( -0.248 0.613 3.707) 3.766 4.253 ( 1.930 -0.023 -4.406) 4.810 4.534 ( 3.489 -1.131 -6.720) 7.656 4.836 ( 13.419 -0.900 7.656) 15.476 5.562 ( 5.018 1.114 -11.552) 12.644 9.781 ( 11.005 0.490 -0.141) 11.017 9.858 ( 4.765 2.598 -3.347) 6.376 10.354 ( -6.099 -0.964 -1.323) 6.315 10.478 ( -8.110 -1.717 -5.035) 9.699 10.642 ( -7.609 0.283 5.233) 9.239 10.720 ( -4.583 1.646 3.404) 5.942======================= Grid point 356 (105/196) =======================q-point: ( 0.46 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -2.028 -0.446 6.480) 6.805 1.363 ( 0.684 1.254 -3.166) 3.473 1.776 ( 1.691 1.777 4.869) 5.452 1.942 ( 1.559 1.019 0.721) 1.997 1.959 ( -0.888 -0.194 -1.548) 1.795 2.094 ( 3.196 0.295 -1.433) 3.515 2.266 ( -0.798 2.888 4.063) 5.048 2.547 ( 0.487 -0.710 -4.034) 4.125 3.208 ( 1.778 -2.800 2.272) 4.021 3.332 ( 5.025 -5.299 -1.147) 7.392 3.425 ( -1.804 2.541 1.832) 3.615 3.501 ( -1.317 1.656 -1.485) 2.585 3.612 ( -1.657 -0.093 19.353) 19.424 3.929 ( -0.526 0.498 5.571) 5.617 4.272 ( 0.476 0.213 -4.298) 4.330 4.579 ( 0.972 -0.494 -7.216) 7.298 5.023 ( 5.266 -0.474 6.228) 8.170 5.635 ( 2.478 0.516 -10.282) 10.589 9.900 ( 2.207 1.266 0.517) 2.597 9.995 ( 9.599 0.689 -2.174) 9.866 10.251 ( -6.030 -2.226 -2.942) 7.069 10.329 ( -6.396 0.052 -4.758) 7.971 10.545 ( -2.268 0.419 5.361) 5.836 10.659 ( -1.366 0.664 2.708) 3.105======================= Grid point 364 (106/196) =======================q-point: ( 0.08 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( 8.760 -0.000 9.995) 13.290 1.049 ( 16.625 -0.000 6.136) 17.721 1.310 ( 0.401 -0.000 7.540) 7.551 1.508 ( -4.320 0.000 -1.146) 4.470 1.660 ( 18.934 -0.000 10.612) 21.705 2.054 ( 9.721 -0.000 -4.276) 10.619 2.153 ( 1.624 -0.000 -1.830) 2.447 2.262 ( -3.481 0.000 -5.175) 6.237 2.997 ( 2.127 -0.000 0.278) 2.145 3.083 ( -2.049 0.000 -4.753) 5.176 3.197 ( 10.037 -0.000 4.695) 11.081 3.348 ( 14.808 -0.000 -1.329) 14.868 3.412 ( 12.090 -0.000 5.000) 13.083 3.620 ( 2.410 -0.000 10.725) 10.993 3.962 ( 0.017 -0.000 -3.749) 3.749 4.413 ( -2.268 0.000 18.807) 18.943 4.458 ( -3.039 0.000 -6.983) 7.616 5.488 ( -1.505 0.000 -13.176) 13.262 9.127 ( 11.957 -0.000 0.273) 11.960 9.360 ( 18.239 -0.000 -12.380) 22.044 10.680 ( -4.579 0.000 0.942) 4.675 10.959 ( -9.470 0.000 -6.414) 11.437 11.056 ( -5.518 0.000 6.427) 8.471 11.231 ( -11.743 0.000 4.617) 12.618======================= Grid point 365 (107/196) =======================q-point: ( 0.15 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 6.683 1.101 5.067) 8.459 1.261 ( 1.619 -1.966 0.828) 2.678 1.394 ( 8.148 0.185 7.511) 11.083 1.523 ( 9.781 1.233 3.376) 10.420 1.949 ( 9.401 -1.095 2.670) 9.834 2.137 ( -1.699 2.775 -5.571) 6.452 2.247 ( 8.991 -0.143 -0.413) 9.001 2.265 ( 5.275 -0.058 -1.969) 5.631 2.986 ( -3.938 1.449 -2.177) 4.727 3.022 ( -1.029 -3.907 -2.218) 4.609 3.357 ( 7.413 1.036 7.332) 10.478 3.605 ( -2.304 0.058 16.535) 16.695 3.647 ( 12.727 2.717 -1.074) 13.058 3.695 ( 14.470 -2.382 2.158) 14.822 4.012 ( 5.604 -0.981 -4.360) 7.168 4.412 ( 1.063 0.720 2.354) 2.682 4.420 ( 1.329 -0.742 5.788) 5.985 5.470 ( -0.087 0.068 -13.309) 13.309 9.356 ( 12.102 -0.008 0.842) 12.131 9.637 ( 11.786 1.306 -11.389) 16.442 10.579 ( -5.725 0.691 -0.409) 5.781 10.776 ( -9.616 -0.137 -5.393) 11.026 10.942 ( -6.007 2.094 6.677) 9.222 11.022 ( -11.321 -2.741 5.872) 13.044======================= Grid point 366 (108/196) =======================q-point: ( 0.23 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -4.871 0.013 2.542) 5.495 1.299 ( 4.056 -0.648 1.622) 4.416 1.573 ( 9.901 -0.053 4.093) 10.713 1.760 ( 13.327 2.407 1.799) 13.661 2.025 ( 0.139 4.051 -0.268) 4.062 2.076 ( -1.172 2.449 -3.853) 4.714 2.351 ( 2.835 0.806 -0.169) 2.953 2.422 ( 6.696 -1.303 -1.781) 7.051 2.962 ( 2.778 -2.254 -0.061) 3.578 3.040 ( 0.427 -4.587 -1.476) 4.838 3.467 ( 4.999 1.431 5.516) 7.581 3.542 ( -3.330 0.345 13.738) 14.140 3.738 ( -0.598 1.783 6.083) 6.367 3.901 ( 5.832 -1.074 2.435) 6.410 4.163 ( 7.019 -1.370 -4.484) 8.441 4.443 ( 3.674 -0.424 -6.937) 7.861 4.565 ( 12.626 -0.001 11.046) 16.776 5.495 ( 3.106 0.482 -12.901) 13.278 9.574 ( 11.307 -0.005 0.599) 11.323 9.799 ( 6.830 2.117 -8.239) 10.909 10.464 ( -6.253 0.156 -1.157) 6.361 10.609 ( -8.442 -0.665 -5.133) 9.903 10.803 ( -8.221 1.410 7.426) 11.168 10.849 ( -7.828 -1.201 4.780) 9.251======================= Grid point 367 (109/196) =======================q-point: ( 0.31 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( -4.676 -0.765 4.824) 6.761 1.362 ( 2.434 1.122 -1.589) 3.116 1.734 ( 6.917 0.981 1.408) 7.127 1.939 ( 4.655 0.937 -1.943) 5.130 1.977 ( 0.271 5.178 2.409) 5.717 2.058 ( -0.147 0.765 -0.790) 1.109 2.351 ( -1.293 3.013 1.816) 3.749 2.505 ( 2.608 -0.705 -3.285) 4.253 3.088 ( 4.185 -4.544 0.024) 6.178 3.107 ( 6.968 -4.929 -1.184) 8.617 3.485 ( -1.897 1.067 9.478) 9.725 3.530 ( 1.993 1.458 2.506) 3.518 3.675 ( -4.350 0.463 13.310) 14.011 3.947 ( -0.068 0.031 3.483) 3.484 4.250 ( 2.283 -0.446 -4.603) 5.157 4.523 ( 3.667 -0.800 -6.843) 7.805 4.830 ( 13.470 -0.381 7.813) 15.577 5.572 ( 4.877 0.764 -11.615) 12.620 9.785 ( 11.440 0.238 -0.363) 11.448 9.884 ( 3.899 2.156 -4.470) 6.311 10.343 ( -6.842 -0.953 -1.895) 7.164 10.464 ( -7.847 -1.005 -5.243) 9.491 10.644 ( -7.344 0.146 6.935) 10.102 10.734 ( -4.643 1.080 3.963) 6.199======================= Grid point 368 (110/196) =======================q-point: ( 0.38 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -1.564 -0.358 6.349) 6.548 1.374 ( -0.465 0.850 -3.380) 3.516 1.795 ( 0.315 1.726 3.743) 4.134 1.948 ( 0.378 0.162 -0.587) 0.716 1.963 ( -1.128 0.901 -0.342) 1.483 2.096 ( 2.420 -0.009 -1.369) 2.781 2.288 ( -3.835 1.200 4.319) 5.900 2.544 ( 1.542 0.283 -3.744) 4.059 3.185 ( 4.679 -1.453 1.144) 5.031 3.276 ( 6.564 -4.972 -1.737) 8.416 3.450 ( -1.291 2.008 3.314) 4.084 3.523 ( -1.564 2.342 -0.359) 2.839 3.609 ( -1.832 -0.406 19.019) 19.112 3.930 ( -1.217 -0.214 5.333) 5.474 4.272 ( 0.161 -0.304 -4.363) 4.377 4.575 ( 1.504 -0.355 -7.236) 7.399 5.019 ( 5.780 -0.167 6.320) 8.566 5.640 ( 1.976 0.432 -10.348) 10.544 9.916 ( 1.086 1.558 -0.148) 1.905 10.000 ( 9.587 0.285 -2.241) 9.849 10.227 ( -5.612 -2.030 -2.649) 6.529 10.330 ( -5.531 0.066 -4.818) 7.335 10.549 ( -2.656 0.230 5.770) 6.356 10.666 ( -2.042 0.607 2.868) 3.572======================= Grid point 369 (111/196) =======================q-point: (-0.54 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 2.563 0.447 6.700) 7.188 1.348 ( -2.105 -1.430 -2.930) 3.881 1.759 ( -3.362 -1.346 5.732) 6.780 1.930 ( -1.728 -1.086 0.205) 2.052 1.964 ( -0.038 0.703 -1.127) 1.329 2.090 ( -3.835 -0.537 -1.598) 4.189 2.229 ( -1.947 -3.713 4.540) 6.179 2.558 ( 0.222 1.274 -4.392) 4.579 3.241 ( 1.177 3.227 2.910) 4.502 3.383 ( 0.348 2.468 0.239) 2.504 3.400 ( -0.833 -0.400 -0.255) 0.959 3.490 ( 0.119 -0.178 -2.001) 2.012 3.611 ( 1.633 -0.283 19.292) 19.363 3.919 ( -0.192 -1.293 5.638) 5.788 4.267 ( -0.844 -0.768 -4.124) 4.279 4.585 ( -0.428 0.522 -7.142) 7.174 5.029 ( -4.664 0.718 6.046) 7.669 5.629 ( -3.041 -0.484 -10.198) 10.653 9.889 ( -3.486 -0.713 1.044) 3.708 9.986 ( -9.292 -0.928 -2.038) 9.558 10.273 ( 5.681 1.928 -3.200) 6.799 10.329 ( 8.041 0.015 -4.690) 9.308 10.540 ( 1.716 -0.575 4.968) 5.287 10.653 ( 0.625 -0.540 2.543) 2.674======================= Grid point 370 (112/196) =======================q-point: (-0.46 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 5.309 1.413 5.724) 7.934 1.319 ( -2.159 -2.882 -0.792) 3.687 1.690 ( -5.550 -3.112 4.755) 7.944 1.878 ( -6.465 -2.888 1.937) 7.341 1.918 ( -4.278 -0.656 0.528) 4.361 2.022 ( -2.319 -2.200 -0.738) 3.280 2.249 ( 0.848 -5.709 1.966) 6.098 2.534 ( -2.061 1.596 -4.577) 5.267 3.217 ( -0.114 6.416 1.450) 6.579 3.242 ( -7.940 6.709 -0.536) 10.409 3.454 ( 1.821 -1.431 4.263) 4.851 3.497 ( -0.712 -1.201 1.884) 2.345 3.664 ( 3.104 -0.568 13.690) 14.049 3.933 ( 0.467 -1.423 3.795) 4.080 4.249 ( -1.587 -0.680 -3.977) 4.336 4.547 ( -3.360 1.165 -6.487) 7.398 4.849 ( -13.238 1.423 7.259) 15.165 5.549 ( -5.206 -1.239 -11.466) 12.653 9.774 ( -10.151 -0.855 0.282) 10.191 9.832 ( -6.199 -2.152 -2.361) 6.973 10.363 ( 5.473 0.689 -0.689) 5.559 10.500 ( 8.186 2.302 -4.386) 9.568 10.638 ( 8.200 -0.485 3.037) 8.758 10.700 ( 4.280 -1.971 2.726) 5.444======================= Grid point 371 (113/196) =======================q-point: (-0.38 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( 1.121 0.277 3.523) 3.708 1.314 ( 1.931 0.342 3.478) 3.993 1.568 ( -8.804 -1.236 5.375) 10.389 1.694 ( -12.710 -1.940 3.451) 13.312 1.903 ( 0.338 -5.778 0.436) 5.804 1.997 ( -2.651 -4.226 -3.052) 5.848 2.297 ( 0.049 -4.506 0.594) 4.545 2.459 ( -5.310 1.683 -3.178) 6.413 3.055 ( -7.052 5.880 1.712) 9.340 3.183 ( 0.472 7.390 -1.556) 7.567 3.422 ( -5.460 -2.274 3.724) 6.989 3.530 ( 3.212 -0.521 9.737) 10.267 3.697 ( -1.306 -1.716 6.767) 7.102 3.918 ( -3.799 0.184 2.545) 4.577 4.199 ( -4.543 1.373 -4.386) 6.462 4.456 ( -4.866 0.590 -6.314) 7.993 4.572 ( -13.254 0.885 10.870) 17.164 5.477 ( -2.627 -1.071 -13.198) 13.499 9.574 ( -11.134 0.002 0.644) 11.153 9.725 ( -7.804 -4.124 -4.945) 10.118 10.459 ( 4.771 -0.271 2.138) 5.235 10.635 ( 8.073 1.681 -3.575) 8.987 10.766 ( 5.642 -1.843 4.965) 7.739 10.873 ( 11.985 0.769 -1.057) 12.056======================= Grid point 372 (114/196) =======================q-point: (-0.31 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( -4.409 -1.000 6.358) 7.801 1.323 ( -7.017 1.297 3.911) 8.137 1.402 ( -7.231 3.068 4.387) 8.997 1.496 ( -3.749 0.186 7.625) 8.499 1.950 ( -0.847 -2.771 -0.699) 2.980 1.991 ( 0.348 -9.037 -5.181) 10.423 2.256 ( -6.049 -1.227 -1.754) 6.417 2.293 ( -11.116 4.005 0.163) 11.817 2.973 ( 0.321 -0.060 2.842) 2.861 3.147 ( -1.028 6.150 -2.882) 6.869 3.309 ( -7.411 -2.489 5.113) 9.341 3.578 ( -5.488 -2.042 -0.812) 5.912 3.611 ( -2.768 -0.180 14.030) 14.302 3.745 ( -13.692 1.789 2.524) 14.037 4.058 ( -7.178 2.549 -4.439) 8.817 4.400 ( -1.058 -0.362 0.340) 1.169 4.432 ( -1.330 0.310 7.159) 7.288 5.466 ( 0.768 -0.265 -14.149) 14.173 9.356 ( -12.164 0.043 0.760) 12.188 9.566 ( -12.192 -4.725 -7.707) 15.178 10.547 ( 4.096 -1.808 3.832) 5.893 10.780 ( 7.551 -0.056 -2.182) 7.860 10.898 ( 7.709 -1.013 4.295) 8.883 11.099 ( 13.196 3.098 -2.291) 13.747======================= Grid point 373 (115/196) =======================q-point: (-0.23 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( -11.834 0.542 9.333) 15.081 1.117 ( -8.483 4.114 8.002) 12.366 1.258 ( -4.788 -0.947 6.141) 7.844 1.537 ( 3.820 2.907 4.044) 6.277 1.844 ( -10.201 11.876 5.008) 16.437 2.012 ( -5.396 -5.999 -4.761) 9.369 2.095 ( -6.276 -1.281 -0.489) 6.424 2.177 ( 0.188 -6.563 -4.504) 7.962 3.000 ( -1.847 -3.487 1.156) 4.112 3.045 ( -8.920 -2.009 0.280) 9.148 3.184 ( -7.196 0.151 2.366) 7.576 3.366 ( -8.132 2.913 -3.385) 9.277 3.467 ( -11.447 2.817 4.795) 12.727 3.627 ( -1.286 0.469 11.422) 11.503 3.967 ( -1.332 0.052 -4.143) 4.352 4.404 ( 1.288 0.190 13.439) 13.502 4.462 ( 3.135 -0.168 -3.325) 4.573 5.495 ( 2.070 0.532 -14.452) 14.609 9.125 ( -12.104 -0.144 0.211) 12.107 9.309 ( -17.709 -4.087 -8.947) 20.258 10.632 ( 3.471 -3.451 4.683) 6.774 10.912 ( 5.545 -3.486 1.529) 6.726 11.054 ( 8.609 1.590 0.750) 8.787 11.328 ( 13.410 5.341 -3.632) 14.884======================= Grid point 374 (116/196) =======================q-point: (-0.15 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( -10.668 3.562 11.173) 15.853 0.941 ( -7.276 8.700 13.331) 17.503 1.271 ( 1.982 -9.491 2.103) 9.921 1.429 ( -10.818 11.949 14.853) 21.919 1.686 ( 2.701 7.589 -2.901) 8.562 1.879 ( -7.568 1.353 -2.389) 8.050 2.082 ( 0.831 -7.520 -0.898) 7.619 2.273 ( 3.590 -7.395 -4.788) 9.513 2.858 ( -10.247 -4.392 0.471) 11.159 2.880 ( -11.295 -6.035 -0.523) 12.817 3.066 ( -4.041 2.468 4.913) 6.823 3.317 ( 2.516 4.090 -4.615) 6.660 3.330 ( -2.011 4.430 4.407) 6.564 3.540 ( -6.291 2.748 2.610) 7.345 3.995 ( 2.847 -0.887 2.312) 3.773 4.440 ( 1.869 -2.173 15.027) 15.298 4.523 ( 2.906 0.121 -3.613) 4.638 5.526 ( 1.555 1.176 -14.498) 14.628 8.929 ( -8.777 -0.659 -0.905) 8.848 8.974 ( -17.426 -1.266 -4.742) 18.104 10.708 ( 2.154 -4.272 4.769) 6.755 11.024 ( 3.448 -6.592 3.587) 8.259 11.180 ( 5.588 2.937 -1.685) 6.534 11.523 ( 10.170 7.240 -6.417) 14.036======================= Grid point 375 (117/196) =======================q-point: (-0.08 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( 0.000 4.990 13.884) 14.753 0.802 ( 0.000 7.750 16.936) 18.625 1.235 ( 0.000 9.027 20.298) 22.215 1.384 ( -0.000 -10.614 -4.133) 11.390 1.698 ( 0.000 1.390 -11.604) 11.687 1.774 ( 0.000 8.508 1.184) 8.590 2.154 ( -0.000 -10.239 1.275) 10.318 2.347 ( -0.000 -4.689 -4.236) 6.319 2.767 ( -0.000 -4.209 0.185) 4.213 2.786 ( -0.000 -3.488 -0.260) 3.497 3.013 ( 0.000 1.998 6.537) 6.835 3.290 ( 0.000 6.077 3.125) 6.833 3.346 ( 0.000 1.886 -3.603) 4.067 3.430 ( 0.000 3.754 -1.427) 4.016 4.032 ( 0.000 0.069 5.832) 5.833 4.483 ( -0.000 -4.684 11.442) 12.364 4.552 ( 0.000 0.830 -1.621) 1.821 5.535 ( 0.000 1.329 -13.999) 14.062 8.769 ( 0.000 0.069 1.198) 1.200 8.855 ( 0.000 0.011 -1.220) 1.220 10.751 ( -0.000 -3.566 4.070) 5.411 11.100 ( -0.000 -8.080 2.889) 8.581 11.217 ( 0.000 3.188 -2.264) 3.910 11.588 ( 0.000 7.460 -7.524) 10.596======================= Grid point 378 (118/196) =======================q-point: ( 0.15 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( -5.671 0.000 2.375) 6.148 1.295 ( 5.208 -0.000 1.385) 5.389 1.573 ( 10.012 -0.000 4.085) 10.813 1.774 ( 12.916 -0.000 1.143) 12.966 2.048 ( 1.857 -0.000 0.089) 1.859 2.090 ( -3.012 0.000 -4.378) 5.314 2.354 ( 3.329 -0.000 -0.041) 3.329 2.415 ( 7.109 -0.000 -1.549) 7.275 2.950 ( 1.662 -0.000 -0.796) 1.843 3.014 ( 0.967 -0.000 -1.094) 1.460 3.475 ( 4.919 -0.000 5.820) 7.620 3.544 ( -3.353 0.000 14.368) 14.754 3.749 ( -1.358 0.000 5.941) 6.094 3.894 ( 6.481 -0.000 2.390) 6.907 4.155 ( 7.415 -0.000 -4.420) 8.633 4.440 ( 3.523 -0.000 -6.981) 7.820 4.565 ( 12.568 -0.000 10.953) 16.671 5.498 ( 3.170 -0.000 -12.856) 13.241 9.574 ( 11.325 -0.000 0.597) 11.340 9.810 ( 6.702 -0.000 -8.783) 11.048 10.465 ( -6.547 0.000 -1.816) 6.794 10.605 ( -8.488 0.000 -5.306) 10.010 10.812 ( -10.153 0.000 8.049) 12.956 10.841 ( -5.617 0.000 5.540) 7.890======================= Grid point 379 (119/196) =======================q-point: ( 0.23 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( -4.552 -0.268 4.641) 6.506 1.370 ( 2.571 0.354 -1.684) 3.094 1.741 ( 7.392 0.295 0.944) 7.458 1.946 ( 4.189 0.340 -2.530) 4.905 2.023 ( -2.181 2.913 1.585) 3.970 2.059 ( -0.012 -0.486 -0.768) 0.909 2.371 ( -1.555 0.843 2.186) 2.812 2.502 ( 3.114 -0.047 -3.014) 4.334 3.054 ( 7.087 -1.624 -0.214) 7.274 3.069 ( 5.266 -1.925 -1.393) 5.777 3.493 ( -1.834 0.369 11.051) 11.208 3.541 ( 2.245 0.587 2.704) 3.564 3.679 ( -4.843 0.209 12.964) 13.840 3.946 ( 0.061 -0.073 3.277) 3.278 4.245 ( 2.524 -0.257 -4.651) 5.298 4.518 ( 3.789 -0.284 -6.887) 7.866 4.827 ( 13.462 -0.087 7.834) 15.576 5.578 ( 4.802 0.271 -11.647) 12.601 9.787 ( 11.616 0.070 -0.456) 11.625 9.901 ( 3.512 0.847 -5.234) 6.360 10.336 ( -7.363 -0.414 -2.204) 7.697 10.457 ( -7.632 -0.322 -5.258) 9.273 10.645 ( -7.231 0.044 7.885) 10.699 10.742 ( -4.644 0.376 4.266) 6.317======================= Grid point 380 (120/196) =======================q-point: ( 0.31 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -1.249 -0.200 6.296) 6.422 1.381 ( -1.188 0.410 -3.528) 3.745 1.811 ( -0.439 1.063 2.735) 2.967 1.949 ( -1.125 0.016 -1.824) 2.143 1.973 ( -0.939 0.805 0.698) 1.420 2.095 ( 1.726 -0.141 -1.328) 2.182 2.294 ( -5.920 0.073 4.920) 7.698 2.550 ( 2.183 0.614 -3.547) 4.210 3.179 ( 6.816 0.421 -0.180) 6.831 3.228 ( 7.535 -3.937 -1.782) 8.686 3.467 ( -0.917 1.150 4.492) 4.727 3.547 ( -1.164 1.879 0.420) 2.250 3.604 ( -2.243 -0.577 18.800) 18.942 3.926 ( -1.758 -0.371 5.031) 5.342 4.267 ( -0.037 -0.373 -4.351) 4.367 4.572 ( 1.887 -0.175 -7.220) 7.464 5.019 ( 6.113 -0.006 6.338) 8.806 5.643 ( 1.633 0.246 -10.387) 10.517 9.931 ( 0.253 1.207 -0.810) 1.475 10.001 ( 9.388 -0.048 -2.185) 9.639 10.209 ( -4.957 -1.249 -2.378) 5.638 10.330 ( -5.112 0.042 -4.863) 7.056 10.550 ( -2.889 0.091 6.079) 6.731 10.672 ( -2.499 0.361 2.983) 3.908======================= Grid point 381 (121/196) =======================q-point: (-0.62 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 3.058 0.343 6.958) 7.608 1.333 ( -3.474 -1.173 -2.737) 4.575 1.748 ( -4.834 -0.753 6.230) 7.921 1.920 ( -2.033 -0.769 -0.316) 2.196 1.973 ( -0.336 0.786 -0.948) 1.276 2.084 ( -4.187 -0.538 -1.906) 4.632 2.191 ( -3.882 -3.104 5.618) 7.501 2.571 ( 0.409 1.088 -4.701) 4.843 3.274 ( 3.338 2.747 3.036) 5.283 3.365 ( 4.772 -2.417 -0.501) 5.372 3.434 ( -1.953 3.135 -0.417) 3.717 3.497 ( -1.879 1.347 -1.580) 2.800 3.606 ( 1.717 -0.644 19.086) 19.174 3.903 ( -0.849 -1.498 5.573) 5.833 4.257 ( -1.170 -0.884 -3.898) 4.165 4.590 ( 0.001 0.401 -7.043) 7.055 5.037 ( -4.123 0.664 5.834) 7.175 5.625 ( -3.533 -0.344 -10.117) 10.722 9.885 ( -4.704 -0.226 1.402) 4.914 9.976 ( -8.773 -0.846 -1.915) 9.019 10.291 ( 4.102 1.244 -3.437) 5.495 10.329 ( 10.783 0.117 -4.598) 11.723 10.533 ( 1.061 -0.541 4.688) 4.837 10.648 ( 0.014 -0.326 2.408) 2.430======================= Grid point 382 (122/196) =======================q-point: (-0.54 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 5.870 1.477 6.374) 8.790 1.285 ( -2.424 -3.216 0.036) 4.027 1.656 ( -5.974 -2.975 6.583) 9.374 1.856 ( -6.659 -1.386 0.685) 6.836 1.917 ( -4.794 0.589 1.597) 5.088 1.998 ( -3.542 -2.189 -0.540) 4.199 2.189 ( 0.324 -5.286 2.426) 5.825 2.550 ( -2.121 1.274 -5.254) 5.808 3.280 ( 0.396 5.126 2.666) 5.791 3.308 ( -7.478 5.178 -0.154) 9.097 3.443 ( 1.712 -0.325 2.229) 2.829 3.488 ( 0.006 -0.518 1.171) 1.280 3.657 ( 2.639 -0.726 13.311) 13.590 3.915 ( 0.748 -1.906 3.743) 4.266 4.239 ( -1.300 -1.077 -3.384) 3.782 4.558 ( -3.327 0.928 -6.188) 7.087 4.865 ( -12.960 1.529 6.703) 14.670 5.536 ( -5.402 -1.083 -11.374) 12.638 9.763 ( -9.066 -1.084 0.884) 9.173 9.814 ( -7.866 -1.249 -1.791) 8.164 10.369 ( 5.092 0.401 -0.171) 5.111 10.527 ( 7.910 2.614 -3.137) 8.902 10.631 ( 9.580 -0.886 0.375) 9.629 10.679 ( 3.353 -1.838 2.262) 4.443======================= Grid point 383 (123/196) =======================q-point: (-0.46 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -0.554 0.239 3.984) 4.029 1.314 ( 5.039 -0.195 4.844) 6.992 1.545 ( -8.089 -2.869 7.186) 11.194 1.690 ( -10.023 0.865 2.288) 10.317 1.851 ( -2.322 -3.535 2.026) 4.689 1.953 ( -3.302 -3.813 -2.934) 5.835 2.239 ( 0.827 -6.093 1.691) 6.378 2.475 ( -5.260 1.231 -4.060) 6.758 3.120 ( -8.334 5.911 1.898) 10.392 3.257 ( 0.271 6.177 -0.756) 6.229 3.400 ( -5.736 -1.638 2.788) 6.584 3.527 ( 3.170 -0.084 7.531) 8.171 3.679 ( -1.757 -1.552 6.638) 7.040 3.916 ( -2.805 -0.480 2.492) 3.783 4.209 ( -2.952 0.670 -3.734) 4.807 4.461 ( -5.697 0.356 -5.684) 8.055 4.585 ( -13.911 1.300 10.081) 17.228 5.466 ( -2.277 -1.039 -13.383) 13.615 9.574 ( -10.936 0.032 0.719) 10.960 9.682 ( -8.525 -3.743 -3.186) 9.841 10.456 ( 4.127 -0.233 3.563) 5.457 10.654 ( 7.708 1.906 -2.248) 8.253 10.746 ( 5.359 -1.762 3.689) 6.741 10.878 ( 13.186 0.280 -4.495) 13.934======================= Grid point 384 (124/196) =======================q-point: (-0.38 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -3.871 -0.242 6.595) 7.651 1.327 ( -9.474 0.243 6.135) 11.289 1.450 ( -0.211 4.416 2.994) 5.340 1.511 ( -4.010 3.075 8.860) 10.200 1.879 ( 1.071 -9.441 -1.193) 9.576 1.925 ( -1.453 -3.619 -3.875) 5.498 2.234 ( -5.020 -3.039 -1.000) 5.953 2.332 ( -9.271 2.973 -0.785) 9.768 2.979 ( -3.525 1.368 4.667) 6.006 3.201 ( -5.029 3.551 -1.342) 6.301 3.290 ( -5.403 -0.819 2.818) 6.148 3.562 ( -5.530 -1.004 -3.929) 6.857 3.609 ( -0.897 -0.220 14.997) 15.026 3.761 ( -13.343 1.187 3.060) 13.741 4.084 ( -8.214 2.228 -4.388) 9.575 4.396 ( -0.614 -0.335 -2.091) 2.205 4.434 ( -1.656 0.080 9.169) 9.318 5.463 ( 1.259 -0.280 -14.734) 14.791 9.357 ( -12.242 0.084 0.705) 12.262 9.514 ( -12.342 -4.783 -5.198) 14.221 10.529 ( 3.258 -1.483 5.763) 6.784 10.776 ( 5.559 -0.619 0.669) 5.633 10.895 ( 9.777 0.421 0.855) 9.824 11.126 ( 13.865 1.812 -5.883) 15.170======================= Grid point 385 (125/196) =======================q-point: (-0.31 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( -8.309 3.609 8.124) 12.167 1.133 ( -6.948 -0.616 7.822) 10.480 1.299 ( -6.599 8.344 6.976) 12.721 1.565 ( 4.284 1.940 5.833) 7.493 1.925 ( -1.073 -4.948 -6.992) 8.633 1.952 ( -1.344 1.004 2.995) 3.433 2.101 ( -9.317 3.377 1.286) 9.993 2.119 ( -6.481 -3.399 -2.953) 7.892 2.943 ( -4.891 -6.085 3.520) 8.564 3.023 ( -12.464 -2.379 0.774) 12.713 3.190 ( -6.261 0.450 1.816) 6.535 3.405 ( -4.596 4.106 -4.677) 7.737 3.490 ( -11.830 1.320 5.083) 12.944 3.632 ( -0.215 0.471 12.221) 12.232 3.964 ( -3.234 -0.751 -4.181) 5.339 4.413 ( 1.808 1.382 9.141) 9.420 4.458 ( 2.877 -0.501 -1.046) 3.102 5.501 ( 2.461 0.469 -15.496) 15.697 9.123 ( -12.349 -0.279 0.167) 12.353 9.263 ( -16.870 -4.261 -6.042) 18.419 10.597 ( 2.661 -3.076 7.017) 8.111 10.876 ( 4.123 -3.074 3.434) 6.184 11.078 ( 10.017 2.762 -1.770) 10.540 11.375 ( 13.895 3.212 -7.489) 16.108======================= Grid point 386 (126/196) =======================q-point: (-0.23 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -7.166 8.676 8.336) 14.004 1.045 ( -4.086 8.841 12.080) 15.517 1.185 ( -2.248 -4.724 3.799) 6.465 1.560 ( -4.267 10.771 11.015) 15.987 1.775 ( -3.754 9.517 1.052) 10.285 1.868 ( -5.718 -3.693 -1.815) 7.044 2.034 ( 0.707 -0.466 -0.673) 1.082 2.175 ( 3.493 -10.411 -4.767) 11.971 2.800 ( -11.401 -6.850 0.205) 13.302 2.808 ( -11.102 -6.445 -0.441) 12.844 3.094 ( -3.652 2.530 5.444) 7.026 3.353 ( -0.646 0.963 1.837) 2.173 3.372 ( 0.216 4.223 -1.431) 4.464 3.574 ( -4.209 3.510 4.672) 7.202 3.972 ( 1.860 -3.585 0.910) 4.140 4.435 ( 1.276 1.404 14.104) 14.232 4.518 ( 2.727 -0.803 -4.266) 5.127 5.539 ( 1.850 1.056 -16.089) 16.230 8.918 ( -10.377 -1.345 -0.980) 10.510 8.962 ( -14.014 -0.850 -2.810) 14.319 10.659 ( 1.679 -4.529 7.450) 8.879 10.962 ( 2.564 -5.034 5.070) 7.590 11.217 ( 6.156 3.872 -3.025) 7.876 11.589 ( 10.259 4.581 -10.479) 15.364======================= Grid point 387 (127/196) =======================q-point: (-0.15 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 0.000 9.921 9.119) 13.475 0.916 ( 0.000 13.055 14.201) 19.290 1.228 ( -0.000 -11.180 2.213) 11.397 1.407 ( 0.000 15.887 16.756) 23.091 1.719 ( 0.000 2.470 -10.527) 10.813 1.840 ( 0.000 1.391 5.492) 5.666 2.058 ( -0.000 -4.719 -1.169) 4.862 2.270 ( -0.000 -9.200 -4.449) 10.219 2.711 ( -0.000 -6.080 -0.415) 6.094 2.729 ( -0.000 -6.751 -0.458) 6.766 3.039 ( 0.000 2.788 6.797) 7.346 3.344 ( 0.000 2.837 2.879) 4.042 3.372 ( 0.000 2.793 -3.534) 4.504 3.487 ( 0.000 6.503 0.622) 6.532 4.019 ( -0.000 -3.134 3.323) 4.568 4.447 ( -0.000 -1.200 14.811) 14.860 4.552 ( -0.000 -0.720 -4.008) 4.072 5.551 ( 0.000 1.469 -15.981) 16.048 8.770 ( 0.000 0.123 1.181) 1.188 8.855 ( 0.000 0.019 -1.212) 1.212 10.702 ( -0.000 -5.085 6.699) 8.410 11.019 ( -0.000 -6.631 5.519) 8.627 11.255 ( 0.000 3.879 -3.229) 5.047 11.665 ( 0.000 6.080 -12.057) 13.503======================= Grid point 392 (128/196) =======================q-point: ( 0.23 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -1.138 0.000 6.284) 6.387 1.383 ( -1.433 0.000 -3.581) 3.857 1.817 ( -0.641 0.000 2.327) 2.414 1.949 ( -1.620 0.000 -2.163) 2.702 1.978 ( -0.999 0.000 0.922) 1.359 2.094 ( 1.429 -0.000 -1.302) 1.933 2.293 ( -6.573 0.000 5.227) 8.398 2.554 ( 2.316 -0.000 -3.469) 4.171 3.193 ( 8.319 -0.000 -2.307) 8.633 3.195 ( 7.168 -0.000 -0.185) 7.171 3.473 ( -0.766 0.000 4.974) 5.033 3.558 ( -0.727 0.000 0.084) 0.732 3.600 ( -2.652 0.000 19.313) 19.494 3.924 ( -1.971 0.000 4.887) 5.269 4.265 ( -0.103 0.000 -4.334) 4.336 4.571 ( 2.025 -0.000 -7.208) 7.487 5.019 ( 6.226 -0.000 6.336) 8.883 5.645 ( 1.512 -0.000 -10.399) 10.509 9.938 ( -0.109 0.000 -1.128) 1.133 10.000 ( 9.302 -0.000 -2.108) 9.538 10.202 ( -4.632 0.000 -2.261) 5.154 10.330 ( -4.986 0.000 -4.881) 6.978 10.551 ( -2.967 0.000 6.194) 6.868 10.674 ( -2.658 0.000 3.026) 4.028======================= Grid point 393 (129/196) =======================q-point: (-0.69 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( 3.371 0.131 7.140) 7.897 1.324 ( -4.337 -0.458 -2.635) 5.095 1.742 ( -5.690 -0.229 6.436) 8.594 1.914 ( -2.252 -0.277 -0.613) 2.351 1.979 ( -0.295 0.372 -1.057) 1.159 2.079 ( -4.239 -0.234 -2.218) 4.790 2.167 ( -5.006 -1.224 6.646) 8.410 2.580 ( 0.385 0.415 -4.869) 4.902 3.298 ( 4.002 1.492 3.415) 5.469 3.343 ( 5.745 -1.432 -1.716) 6.165 3.456 ( -0.328 1.013 -0.611) 1.227 3.513 ( -3.357 1.090 -1.130) 3.706 3.599 ( 1.929 -0.477 19.341) 19.443 3.890 ( -1.287 -0.688 5.488) 5.679 4.250 ( -1.360 -0.390 -3.736) 3.995 4.593 ( 0.232 0.151 -6.975) 6.981 5.042 ( -3.801 0.270 5.693) 6.851 5.622 ( -3.823 -0.125 -10.067) 10.769 9.884 ( -5.511 -0.016 1.592) 5.737 9.969 ( -8.331 -0.355 -1.855) 8.543 10.299 ( 2.186 0.402 -3.624) 4.251 10.331 ( 13.445 0.093 -4.501) 14.178 10.529 ( 0.565 -0.227 4.557) 4.598 10.646 ( -0.323 -0.105 2.331) 2.356======================= Grid point 394 (130/196) =======================q-point: (-0.62 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 6.708 1.163 7.061) 9.809 1.254 ( -3.170 -2.370 0.740) 4.026 1.631 ( -6.608 -1.682 7.435) 10.089 1.845 ( -6.333 -0.655 0.082) 6.367 1.930 ( -4.592 1.665 1.611) 5.143 1.976 ( -4.483 -1.932 0.185) 4.885 2.141 ( -0.417 -3.436 2.733) 4.410 2.560 ( -2.215 0.692 -5.727) 6.180 3.323 ( 0.480 2.870 3.964) 4.917 3.346 ( -6.121 1.904 0.165) 6.412 3.450 ( 0.209 1.337 0.594) 1.478 3.485 ( 0.971 -0.178 0.676) 1.196 3.649 ( 2.328 -0.658 12.796) 13.023 3.895 ( 1.038 -1.463 3.646) 4.064 4.228 ( -1.092 -0.808 -2.853) 3.160 4.566 ( -3.348 0.511 -5.942) 6.840 4.879 ( -12.713 0.995 6.227) 14.191 5.527 ( -5.554 -0.639 -11.302) 12.609 9.753 ( -8.464 -0.746 1.396) 8.610 9.804 ( -8.895 -0.520 -1.542) 9.043 10.372 ( 4.907 0.178 0.160) 4.913 10.555 ( 6.893 2.463 -0.934) 7.379 10.618 ( 11.989 -1.528 -3.086) 12.473 10.663 ( 2.023 -0.998 2.286) 3.211======================= Grid point 395 (131/196) =======================q-point: (-0.54 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( -1.595 -0.018 4.245) 4.535 1.311 ( 7.462 -0.314 6.145) 9.671 1.515 ( -7.056 -2.381 8.119) 11.017 1.701 ( -7.743 0.723 1.402) 7.902 1.833 ( -4.637 0.302 3.449) 5.787 1.917 ( -3.540 -2.941 -2.459) 5.217 2.172 ( 0.571 -6.013 2.583) 6.569 2.485 ( -5.461 0.722 -4.837) 7.331 3.177 ( -8.740 4.420 1.851) 9.968 3.311 ( -0.127 3.787 0.424) 3.813 3.388 ( -6.102 -0.641 2.067) 6.474 3.529 ( 3.063 0.346 5.835) 6.599 3.664 ( -2.022 -1.345 6.084) 6.550 3.909 ( -1.865 -0.711 2.371) 3.099 4.214 ( -1.510 0.194 -2.854) 3.234 4.464 ( -6.374 0.187 -5.240) 8.253 4.598 ( -14.663 1.122 9.284) 17.391 5.456 ( -1.949 -0.757 -13.539) 13.700 9.575 ( -10.628 0.099 0.853) 10.663 9.647 ( -9.269 -2.649 -1.918) 9.829 10.454 ( 3.693 -0.156 4.526) 5.844 10.675 ( 7.066 1.872 -0.715) 7.345 10.728 ( 5.656 -1.598 2.504) 6.389 10.879 ( 13.920 -0.041 -7.351) 15.742======================= Grid point 396 (132/196) =======================q-point: (-0.46 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -3.489 0.212 6.360) 7.258 1.339 ( -8.086 2.121 6.471) 10.571 1.476 ( 5.166 0.598 5.565) 7.617 1.566 ( -4.902 6.077 6.379) 10.082 1.785 ( -1.901 -7.292 0.923) 7.592 1.891 ( -0.069 -2.643 -3.073) 4.054 2.189 ( -3.409 -5.300 0.262) 6.307 2.353 ( -7.973 0.965 -1.998) 8.276 3.004 ( -6.669 3.199 5.186) 9.033 3.220 ( -9.627 0.524 1.063) 9.700 3.291 ( -3.545 0.500 0.349) 3.597 3.556 ( -4.630 -0.147 -6.407) 7.906 3.606 ( 0.243 -0.249 15.301) 15.305 3.771 ( -13.004 0.689 3.537) 13.494 4.105 ( -9.224 1.715 -4.300) 10.320 4.392 ( -0.410 -0.478 -4.509) 4.553 4.434 ( -1.634 0.032 11.280) 11.398 5.460 ( 1.696 -0.229 -15.237) 15.333 9.358 ( -12.378 0.166 0.662) 12.397 9.466 ( -12.329 -3.877 -3.084) 13.287 10.516 ( 2.674 -0.996 7.002) 7.561 10.768 ( 4.085 -0.829 2.495) 4.858 10.904 ( 11.518 1.172 -1.451) 11.668 11.139 ( 14.086 0.692 -8.648) 16.543======================= Grid point 397 (133/196) =======================q-point: (-0.38 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -3.249 1.070 6.891) 7.693 1.145 ( -8.930 5.081 6.744) 12.290 1.412 ( -4.931 11.839 7.642) 14.929 1.574 ( 3.306 -0.354 6.517) 7.316 1.825 ( -0.174 -11.075 -4.339) 11.896 1.954 ( 5.316 -0.349 -1.025) 5.425 2.089 ( -7.858 -2.594 -1.301) 8.377 2.170 ( -9.914 6.752 1.971) 12.156 2.888 ( -7.859 -3.476 5.417) 10.158 2.997 ( -14.194 -2.099 0.412) 14.354 3.183 ( -6.808 -2.070 2.019) 7.396 3.448 ( -3.191 3.771 -5.250) 7.208 3.497 ( -12.773 0.237 5.125) 13.765 3.637 ( 0.774 0.447 13.058) 13.088 3.953 ( -5.411 -1.160 -4.203) 6.949 4.427 ( 3.048 0.690 -0.704) 3.203 4.456 ( 2.672 0.622 6.809) 7.341 5.505 ( 2.726 0.310 -16.353) 16.581 9.119 ( -12.803 -0.470 0.182) 12.813 9.222 ( -15.644 -3.351 -3.584) 16.395 10.568 ( 2.070 -2.180 8.484) 9.000 10.847 ( 3.386 -2.338 3.820) 5.615 11.111 ( 11.088 3.138 -3.108) 11.935 11.397 ( 13.753 1.070 -10.076) 17.083======================= Grid point 398 (134/196) =======================q-point: (-0.31 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( -4.095 12.828 5.243) 14.450 1.058 ( -0.691 -4.133 7.647) 8.720 1.241 ( -6.100 12.736 8.362) 16.411 1.624 ( 1.965 0.723 6.872) 7.184 1.823 ( -4.331 -3.243 -2.333) 5.892 1.896 ( -10.009 10.565 1.243) 14.606 2.038 ( 0.742 -2.159 1.206) 2.582 2.084 ( 5.576 -2.105 -0.970) 6.039 2.715 ( -11.606 -8.050 0.879) 14.152 2.750 ( -12.429 -4.825 -1.358) 13.401 3.114 ( -2.709 0.960 5.915) 6.577 3.334 ( -3.496 -4.035 6.134) 8.131 3.417 ( -0.021 3.868 -4.078) 5.621 3.611 ( -2.132 3.115 6.975) 7.931 3.925 ( 0.086 -4.661 -0.033) 4.662 4.465 ( 1.908 3.630 10.277) 11.065 4.509 ( 2.506 -0.798 -3.533) 4.405 5.548 ( 1.957 0.632 -17.276) 17.398 8.902 ( -11.058 -1.519 -0.451) 11.171 8.956 ( -11.431 -0.340 -1.759) 11.571 10.615 ( 1.275 -3.468 9.304) 10.011 10.916 ( 2.113 -3.599 4.866) 6.410 11.262 ( 6.697 4.446 -3.973) 8.967 11.620 ( 9.816 1.305 -12.549) 15.985======================= Grid point 399 (135/196) =======================q-point: (-0.23 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.843 ( 0.000 13.616 5.432) 14.659 1.071 ( 0.000 15.554 11.274) 19.210 1.114 ( -0.000 -9.157 3.512) 9.807 1.593 ( 0.000 15.896 15.753) 22.379 1.749 ( 0.000 2.883 -8.809) 9.269 1.801 ( -0.000 -4.923 5.855) 7.650 2.062 ( 0.000 1.495 0.286) 1.522 2.171 ( -0.000 -6.853 -3.880) 7.876 2.632 ( -0.000 -8.757 -0.623) 8.779 2.656 ( -0.000 -6.456 -1.359) 6.598 3.069 ( 0.000 2.632 7.051) 7.527 3.341 ( -0.000 -3.567 4.693) 5.895 3.403 ( 0.000 2.771 -3.475) 4.445 3.557 ( 0.000 6.003 3.008) 6.714 3.965 ( -0.000 -6.273 2.592) 6.787 4.462 ( 0.000 3.532 13.449) 13.905 4.541 ( -0.000 -1.163 -5.218) 5.346 5.564 ( 0.000 0.911 -17.529) 17.552 8.772 ( 0.000 0.149 1.157) 1.167 8.856 ( 0.000 0.022 -1.201) 1.201 10.649 ( -0.000 -4.438 9.064) 10.093 10.959 ( -0.000 -4.662 5.527) 7.231 11.301 ( 0.000 4.693 -4.003) 6.168 11.710 ( 0.000 2.298 -14.150) 14.335======================= Grid point 406 (136/196) =======================q-point: (-0.69 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 7.377 -0.000 7.474) 10.502 1.240 ( -3.832 0.000 0.905) 3.938 1.622 ( -6.862 0.000 7.640) 10.270 1.842 ( -6.197 0.000 -0.036) 6.197 1.944 ( -3.562 0.000 0.355) 3.579 1.961 ( -5.591 0.000 1.694) 5.842 2.121 ( -0.820 0.000 2.789) 2.907 2.564 ( -2.255 0.000 -5.897) 6.314 3.339 ( 0.600 -0.000 5.030) 5.065 3.354 ( -5.132 0.000 -0.267) 5.139 3.460 ( -2.011 0.000 -0.390) 2.048 3.483 ( 2.349 -0.000 0.904) 2.517 3.645 ( 2.224 -0.000 12.552) 12.747 3.887 ( 1.172 -0.000 3.602) 3.788 4.224 ( -1.012 0.000 -2.638) 2.826 4.569 ( -3.362 0.000 -5.849) 6.747 4.885 ( -12.616 0.000 6.044) 13.989 5.523 ( -5.612 0.000 -11.274) 12.594 9.749 ( -8.333 0.000 1.589) 8.483 9.802 ( -9.181 0.000 -1.472) 9.298 10.373 ( 4.854 -0.000 0.274) 4.862 10.572 ( 4.465 -0.000 2.463) 5.100 10.605 ( 14.856 -0.000 -6.944) 16.398 10.658 ( 1.595 -0.000 2.317) 2.813======================= Grid point 408 (137/196) =======================q-point: (-0.62 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -1.854 -0.088 4.355) 4.734 1.309 ( 8.605 -0.109 6.951) 11.063 1.497 ( -6.314 -0.852 8.370) 10.519 1.704 ( -7.222 -0.061 1.485) 7.373 1.850 ( -5.207 2.018 3.223) 6.448 1.891 ( -3.322 -1.876 -1.323) 4.038 2.121 ( -0.160 -2.825 2.890) 4.045 2.490 ( -5.634 0.235 -5.297) 7.736 3.210 ( -8.642 1.630 1.778) 8.973 3.337 ( -0.531 1.105 1.331) 1.809 3.385 ( -6.378 0.045 1.664) 6.592 3.532 ( 2.900 0.243 5.021) 5.804 3.653 ( -2.114 -0.582 5.472) 5.895 3.903 ( -1.248 -0.341 2.275) 2.617 4.215 ( -0.631 0.023 -2.236) 2.323 4.465 ( -6.743 0.063 -5.076) 8.440 4.607 ( -15.180 0.435 8.851) 17.577 5.450 ( -1.747 -0.278 -13.629) 13.744 9.576 ( -10.287 0.087 1.013) 10.337 9.627 ( -9.857 -0.993 -1.330) 9.995 10.453 ( 3.478 -0.054 5.007) 6.096 10.694 ( 5.617 1.603 1.049) 5.935 10.712 ( 6.959 -1.465 1.097) 7.195 10.879 ( 14.265 -0.066 -9.029) 16.883======================= Grid point 409 (138/196) =======================q-point: (-0.54 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -3.538 0.195 6.074) 7.032 1.373 ( -4.477 4.210 6.239) 8.758 1.467 ( 4.856 -2.328 5.293) 7.551 1.609 ( -2.481 0.991 4.353) 5.107 1.745 ( -4.798 0.457 5.132) 7.041 1.869 ( 1.078 -1.461 -2.021) 2.716 2.128 ( -2.398 -5.413 1.292) 6.060 2.357 ( -7.995 0.073 -3.095) 8.573 3.039 ( -7.801 2.885 5.027) 9.718 3.224 ( -10.524 0.382 1.752) 10.676 3.291 ( -5.500 -0.598 -0.088) 5.534 3.557 ( -3.671 0.213 -8.206) 8.992 3.604 ( 1.060 -0.143 15.458) 15.495 3.776 ( -12.715 0.305 3.876) 13.296 4.120 ( -10.023 0.991 -4.242) 10.929 4.387 ( -0.539 -0.433 -5.831) 5.872 4.435 ( -1.250 0.048 12.456) 12.518 5.458 ( 1.995 -0.127 -15.566) 15.694 9.360 ( -12.589 0.220 0.636) 12.607 9.433 ( -12.160 -2.251 -1.715) 12.485 10.508 ( 2.344 -0.492 7.661) 8.026 10.760 ( 3.372 -0.545 3.166) 4.658 10.916 ( 12.529 0.939 -2.321) 12.777 11.143 ( 14.044 0.097 -10.468) 17.516======================= Grid point 410 (139/196) =======================q-point: (-0.46 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -4.274 -1.009 7.255) 8.481 1.237 ( -4.811 10.820 4.284) 12.593 1.532 ( -1.380 7.751 4.510) 9.073 1.563 ( 0.740 -0.157 7.754) 7.790 1.704 ( -1.307 -10.293 -1.151) 10.439 1.959 ( 7.396 0.970 1.431) 7.595 2.055 ( -7.761 -3.471 -1.712) 8.673 2.217 ( -6.243 1.856 1.004) 6.590 2.878 ( -9.812 1.502 5.991) 11.594 2.983 ( -15.223 -0.162 0.386) 15.228 3.143 ( -8.484 -5.360 2.345) 10.305 3.481 ( -6.328 2.091 -2.397) 7.082 3.499 ( -10.334 0.388 1.902) 10.515 3.641 ( 1.429 0.315 13.699) 13.777 3.941 ( -7.115 -0.947 -4.339) 8.388 4.426 ( 3.428 -0.446 -6.497) 7.359 4.470 ( 3.463 1.520 11.234) 11.853 5.507 ( 2.863 0.160 -16.901) 17.142 9.113 ( -13.421 -0.569 0.322) 13.437 9.193 ( -14.317 -1.922 -2.024) 14.586 10.550 ( 1.717 -1.254 9.240) 9.481 10.826 ( 2.999 -1.474 3.751) 5.024 11.143 ( 11.975 2.652 -3.728) 12.819 11.401 ( 13.252 -0.214 -11.732) 17.701======================= Grid point 411 (140/196) =======================q-point: (-0.38 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( -2.403 -3.214 8.414) 9.322 1.105 ( -1.092 15.307 2.095) 15.488 1.390 ( -5.241 14.038 8.020) 16.996 1.599 ( 1.201 -3.997 4.180) 5.907 1.767 ( 0.290 -9.051 -2.896) 9.507 1.914 ( -7.761 -3.296 -4.922) 9.763 2.083 ( 0.769 7.323 4.339) 8.546 2.115 ( 4.718 6.811 6.432) 10.489 2.642 ( -13.475 -4.654 1.594) 14.345 2.705 ( -13.474 -3.385 -1.950) 14.029 3.105 ( -0.390 -3.391 6.827) 7.633 3.281 ( -7.712 -4.900 8.173) 12.259 3.453 ( -0.923 2.645 -4.474) 5.278 3.639 ( -0.704 2.123 8.949) 9.225 3.880 ( -1.277 -3.580 -1.734) 4.178 4.491 ( 2.905 0.189 -5.750) 6.444 4.515 ( 2.282 2.839 10.007) 10.649 5.553 ( 1.934 0.275 -17.927) 18.033 8.887 ( -10.654 -1.157 0.240) 10.719 8.954 ( -10.273 -0.122 -1.392) 10.368 10.585 ( 1.018 -2.185 10.240) 10.520 10.884 ( 1.873 -2.391 4.367) 5.319 11.310 ( 7.269 4.343 -4.692) 9.680 11.620 ( 9.105 -0.940 -13.465) 16.282======================= Grid point 412 (141/196) =======================q-point: (-0.31 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( 0.000 7.886 7.292) 10.740 1.052 ( 0.000 2.543 1.343) 2.876 1.241 ( 0.000 15.695 8.730) 17.959 1.645 ( -0.000 -4.838 5.881) 7.615 1.777 ( 0.000 2.176 -6.554) 6.905 1.825 ( 0.000 3.249 5.742) 6.597 2.040 ( 0.000 2.020 2.643) 3.326 2.178 ( 0.000 4.956 3.288) 5.948 2.533 ( -0.000 -9.238 -0.431) 9.248 2.590 ( -0.000 -5.715 -2.931) 6.423 3.094 ( 0.000 2.048 7.268) 7.551 3.268 ( -0.000 -9.732 7.827) 12.489 3.430 ( 0.000 2.216 -3.436) 4.089 3.611 ( 0.000 4.126 5.070) 6.537 3.899 ( -0.000 -5.534 1.394) 5.707 4.508 ( 0.000 4.309 8.143) 9.213 4.530 ( -0.000 -0.446 -3.198) 3.229 5.570 ( 0.000 0.371 -18.331) 18.335 8.773 ( 0.000 0.141 1.131) 1.140 8.856 ( 0.000 0.020 -1.188) 1.189 10.609 ( -0.000 -3.044 10.377) 10.814 10.917 ( -0.000 -3.189 4.875) 5.825 11.353 ( 0.000 5.025 -4.785) 6.939 11.717 ( -0.000 -0.773 -14.683) 14.703======================= Grid point 421 (142/196) =======================q-point: (-0.62 0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -3.661 0.000 5.976) 7.008 1.415 ( -1.825 0.000 8.785) 8.973 1.435 ( 3.370 -0.000 1.515) 3.695 1.607 ( -2.552 0.000 4.617) 5.276 1.759 ( -4.640 0.000 6.466) 7.959 1.861 ( 1.648 -0.000 -1.168) 2.020 2.094 ( -2.282 0.000 1.477) 2.719 2.357 ( -8.181 0.000 -3.547) 8.917 3.056 ( -7.893 0.000 4.917) 9.300 3.227 ( -10.234 0.000 1.852) 10.400 3.285 ( -7.051 0.000 -0.080) 7.052 3.558 ( -3.263 0.000 -8.842) 9.425 3.603 ( 1.356 -0.000 15.499) 15.559 3.778 ( -12.595 0.000 4.003) 13.216 4.125 ( -10.339 0.000 -4.227) 11.170 4.384 ( -0.639 0.000 -6.156) 6.189 4.435 ( -1.032 0.000 12.746) 12.788 5.457 ( 2.100 -0.000 -15.679) 15.820 9.362 ( -12.735 0.000 0.625) 12.751 9.420 ( -12.020 0.000 -1.244) 12.084 10.505 ( 2.239 -0.000 7.865) 8.177 10.757 ( 3.170 -0.000 3.306) 4.580 10.922 ( 12.865 -0.000 -2.485) 13.103 11.143 ( 13.987 -0.000 -11.126) 17.872======================= Grid point 423 (143/196) =======================q-point: (-0.54 0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( -4.906 -0.402 7.485) 8.959 1.363 ( -1.005 11.974 3.152) 12.422 1.494 ( 1.801 -9.374 -0.962) 9.593 1.580 ( -1.648 -1.560 3.625) 4.276 1.674 ( -4.035 3.560 8.342) 9.927 1.962 ( 6.985 -0.601 5.840) 9.125 2.026 ( -4.768 -1.298 -3.543) 6.080 2.220 ( -5.293 -0.444 -0.050) 5.312 2.901 ( -10.140 1.556 4.866) 11.354 3.005 ( -14.751 4.649 1.434) 15.533 3.074 ( -11.079 -7.116 2.559) 13.414 3.491 ( -15.191 0.199 5.865) 16.286 3.507 ( -1.995 0.659 -6.642) 6.967 3.643 ( 1.733 0.110 14.045) 14.152 3.934 ( -8.010 -0.353 -4.466) 9.178 4.422 ( 3.524 -0.228 -6.897) 7.749 4.482 ( 4.108 0.632 10.989) 11.749 5.508 ( 2.914 0.048 -17.155) 17.400 9.108 ( -13.854 -0.277 0.510) 13.866 9.180 ( -13.464 -0.584 -1.367) 13.546 10.541 ( 1.556 -0.406 9.549) 9.683 10.816 ( 2.828 -0.506 3.640) 4.637 11.164 ( 12.563 1.088 -3.876) 13.192 11.397 ( 12.790 -0.293 -12.635) 17.981======================= Grid point 424 (144/196) =======================q-point: (-0.46 0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -2.727 -1.497 8.988) 9.511 1.277 ( 0.464 16.360 0.736) 16.383 1.524 ( -4.487 9.509 6.082) 12.147 1.559 ( 0.268 -2.982 2.287) 3.768 1.636 ( 1.001 -13.647 -1.849) 13.808 1.887 ( -7.984 -2.291 -3.015) 8.836 2.129 ( 8.467 3.260 5.430) 10.574 2.190 ( 2.579 3.865 5.339) 7.078 2.631 ( -16.241 2.575 1.668) 16.528 2.678 ( -14.598 -1.678 -1.803) 14.804 3.039 ( 0.589 -7.684 9.397) 12.153 3.246 ( -10.367 -1.569 8.396) 13.432 3.474 ( -1.510 1.315 -4.612) 5.027 3.656 ( 0.070 1.029 10.364) 10.415 3.850 ( -1.966 -1.833 -3.589) 4.484 4.489 ( 2.903 -0.277 -7.391) 7.946 4.545 ( 2.883 2.120 10.319) 10.922 5.555 ( 1.878 0.084 -18.198) 18.294 8.878 ( -10.123 -0.603 0.700) 10.165 8.953 ( -9.804 -0.039 -1.273) 9.887 10.568 ( 0.883 -1.036 10.633) 10.720 10.864 ( 1.750 -1.210 3.986) 4.518 11.350 ( 7.825 3.001 -5.048) 9.783 11.606 ( 8.390 -1.444 -13.934) 16.329======================= Grid point 425 (145/196) =======================q-point: (-0.38 0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -0.000 -2.578 9.361) 9.710 1.199 ( 0.000 17.107 -0.322) 17.110 1.399 ( 0.000 13.282 6.674) 14.864 1.585 ( -0.000 -5.037 2.110) 5.461 1.745 ( -0.000 -13.840 -2.017) 13.986 1.791 ( 0.000 0.132 -3.994) 3.996 2.173 ( 0.000 16.854 8.719) 18.976 2.229 ( 0.000 4.107 7.759) 8.779 2.443 ( -0.000 -7.187 -0.386) 7.198 2.536 ( -0.000 -4.234 -4.492) 6.173 3.112 ( 0.000 1.280 7.422) 7.531 3.144 ( -0.000 -12.512 11.069) 16.705 3.449 ( 0.000 1.402 -3.413) 3.690 3.645 ( 0.000 2.301 6.785) 7.164 3.851 ( -0.000 -3.308 -0.892) 3.426 4.520 ( -0.000 -0.368 -7.619) 7.628 4.558 ( 0.000 3.460 10.547) 11.100 5.573 ( 0.000 0.083 -18.621) 18.621 8.775 ( 0.000 0.101 1.110) 1.114 8.856 ( 0.000 0.014 -1.178) 1.178 10.584 ( -0.000 -1.708 10.947) 11.080 10.890 ( -0.000 -1.909 4.297) 4.702 11.405 ( 0.000 4.407 -5.386) 6.960 11.700 ( -0.000 -2.194 -14.688) 14.851======================= Grid point 436 (146/196) =======================q-point: (-0.54 0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -2.834 0.000 9.299) 9.721 1.433 ( 1.410 -0.000 5.873) 6.040 1.475 ( 2.286 -0.000 -8.931) 9.219 1.545 ( -0.892 0.000 1.657) 1.882 1.597 ( -5.425 0.000 6.994) 8.851 1.870 ( -7.546 0.000 -1.665) 7.727 2.152 ( 8.929 -0.000 6.136) 10.835 2.202 ( 4.059 -0.000 3.895) 5.625 2.660 ( -13.473 0.000 -1.669) 13.576 2.668 ( -18.991 0.000 0.871) 19.011 2.986 ( 0.513 -0.000 11.520) 11.532 3.239 ( -10.572 0.000 8.231) 13.398 3.481 ( -1.702 0.000 -4.653) 4.954 3.661 ( 0.311 -0.000 10.901) 10.906 3.841 ( -2.172 0.000 -4.391) 4.899 4.487 ( 2.931 -0.000 -7.383) 7.944 4.557 ( 3.076 -0.000 9.914) 10.380 5.555 ( 1.852 -0.000 -18.264) 18.358 8.874 ( -9.910 0.000 0.853) 9.947 8.953 ( -9.676 0.000 -1.245) 9.755 10.562 ( 0.842 -0.000 10.737) 10.770 10.858 ( 1.712 -0.000 3.848) 4.212 11.368 ( 8.104 -0.000 -5.089) 9.569 11.597 ( 8.047 -0.000 -14.148) 16.277======================= Grid point 438 (147/196) =======================q-point: (-0.46 0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( -0.000 -0.803 10.075) 10.107 1.385 ( 0.000 17.032 0.426) 17.037 1.509 ( 0.000 6.153 5.271) 8.102 1.544 ( -0.000 -3.495 0.583) 3.543 1.582 ( -0.000 -14.575 -4.076) 15.135 1.782 ( -0.000 -1.105 -1.916) 2.211 2.260 ( 0.000 1.484 9.927) 10.037 2.323 ( 0.000 8.791 7.671) 11.667 2.388 ( -0.000 -2.732 -0.435) 2.766 2.504 ( -0.000 -1.613 -5.586) 5.815 3.030 ( -0.000 -6.981 13.740) 15.412 3.121 ( 0.000 0.434 7.501) 7.513 3.459 ( 0.000 0.478 -3.402) 3.436 3.662 ( 0.000 0.727 7.896) 7.929 3.828 ( -0.000 -1.088 -2.707) 2.917 4.517 ( -0.000 -0.114 -7.595) 7.596 4.584 ( 0.000 1.271 9.668) 9.751 5.573 ( 0.000 0.003 -18.681) 18.681 8.775 ( 0.000 0.036 1.097) 1.098 8.856 ( 0.000 0.005 -1.172) 1.172 10.572 ( -0.000 -0.546 11.147) 11.160 10.876 ( -0.000 -0.641 3.982) 4.033 11.441 ( 0.000 1.963 -5.601) 5.935 11.679 ( -0.000 -1.283 -14.725) 14.781======================= Grid point 525 (148/196) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( 0.000 0.000 16.315) 16.315 1.108 ( 0.000 0.000 16.686) 16.686 1.243 ( 0.000 0.000 -13.734) 13.734 1.422 ( 0.000 0.000 -14.711) 14.711 1.507 ( 0.000 0.000 12.092) 12.092 1.676 ( 0.000 0.000 -4.948) 4.948 2.262 ( 0.000 0.000 2.213) 2.213 2.304 ( 0.000 0.000 -2.357) 2.357 2.798 ( 0.000 0.000 0.182) 0.182 2.801 ( 0.000 0.000 -0.121) 0.121 3.130 ( 0.000 0.000 6.307) 6.307 3.247 ( 0.000 0.000 -5.203) 5.203 3.322 ( 0.000 0.000 3.118) 3.118 3.372 ( 0.000 0.000 -1.991) 1.991 4.196 ( 0.000 0.000 9.117) 9.117 4.379 ( 0.000 0.000 -8.793) 8.793 4.863 ( 0.000 0.000 18.056) 18.056 5.221 ( 0.000 0.000 -17.171) 17.171 8.796 ( 0.000 0.000 1.510) 1.510 8.827 ( 0.000 0.000 -1.518) 1.518 10.859 ( 0.000 0.000 5.880) 5.880 11.002 ( 0.000 0.000 -8.212) 8.212 11.315 ( 0.000 0.000 6.808) 6.808 11.442 ( 0.000 0.000 -5.733) 5.733======================= Grid point 526 (149/196) =======================q-point: ( 0.08 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 7.658 1.284 13.122) 15.247 1.161 ( 3.626 -2.094 12.635) 13.311 1.259 ( 3.151 3.321 -8.213) 9.403 1.438 ( 0.440 -2.915 -11.707) 12.072 1.614 ( 9.746 -4.804 10.528) 15.129 1.773 ( 8.404 -3.702 -5.429) 10.668 2.192 ( -4.320 4.339 2.641) 6.668 2.247 ( -4.248 2.974 -3.082) 6.032 2.902 ( 9.528 1.751 0.453) 9.698 2.912 ( 10.636 2.104 -0.670) 10.863 3.133 ( 0.907 -1.392 4.038) 4.366 3.207 ( -1.969 -1.692 -3.451) 4.318 3.389 ( 6.044 -2.085 5.333) 8.326 3.486 ( 9.082 -1.657 -3.929) 10.034 4.149 ( -4.439 0.693 9.867) 10.842 4.348 ( -2.961 0.369 -9.429) 9.889 4.841 ( -1.913 0.712 18.719) 18.830 5.207 ( -1.360 0.326 -17.392) 17.448 8.920 ( 9.906 0.278 -0.420) 9.919 8.924 ( 11.849 -0.147 -1.037) 11.896 10.820 ( -3.762 0.519 5.271) 6.497 10.951 ( -5.032 0.442 -7.554) 9.088 11.276 ( -3.969 0.372 6.508) 7.632 11.390 ( -5.535 -0.624 -4.680) 7.275======================= Grid point 527 (150/196) =======================q-point: ( 0.15 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 10.028 1.495 6.361) 11.969 1.226 ( 2.296 -1.278 5.434) 6.036 1.347 ( 7.469 0.826 2.015) 7.780 1.468 ( 0.871 -5.410 -6.054) 8.166 1.855 ( 10.163 -3.782 5.861) 12.326 1.964 ( 7.860 -0.633 -4.755) 9.208 2.128 ( 1.960 3.439 1.267) 4.156 2.162 ( -0.826 3.756 -2.413) 4.540 3.012 ( 0.575 -1.473 0.228) 1.597 3.025 ( -0.085 -0.888 -1.334) 1.604 3.262 ( 12.814 1.641 2.985) 13.260 3.311 ( 13.896 0.955 -1.976) 14.069 3.552 ( 9.945 -2.396 6.786) 12.276 3.682 ( 10.307 -1.669 -4.948) 11.555 4.044 ( -5.620 0.558 11.417) 12.737 4.279 ( -3.741 0.404 -10.686) 11.329 4.796 ( -2.087 0.775 19.451) 19.578 5.173 ( -1.740 0.563 -17.811) 17.905 9.142 ( 13.329 0.130 1.486) 13.412 9.197 ( 15.544 0.563 -4.455) 16.180 10.723 ( -6.165 0.183 3.900) 7.297 10.825 ( -7.861 -0.156 -6.226) 10.029 11.172 ( -6.357 1.329 5.642) 8.603 11.256 ( -8.629 -0.017 -2.514) 8.988======================= Grid point 528 (151/196) =======================q-point: ( 0.23 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 0.766 -0.352 3.699) 3.794 1.300 ( 1.540 -2.637 -0.567) 3.106 1.517 ( 9.890 -0.364 4.886) 11.037 1.567 ( 8.306 -1.717 0.420) 8.492 1.951 ( 2.495 3.765 -0.142) 4.519 1.989 ( -0.702 5.777 -3.676) 6.883 2.246 ( 7.253 -0.395 0.197) 7.267 2.257 ( 8.915 -1.754 -0.487) 9.099 2.991 ( -1.770 -3.196 1.336) 3.890 3.027 ( -0.693 -5.028 -2.187) 5.527 3.467 ( 8.765 4.055 5.896) 11.315 3.561 ( 10.522 4.280 -3.527) 11.894 3.786 ( 12.521 -2.649 4.338) 13.513 3.877 ( 8.644 -0.913 -0.585) 8.712 3.973 ( 0.130 -1.637 10.008) 10.142 4.229 ( -0.715 -0.074 -11.395) 11.418 4.773 ( 0.753 0.641 19.098) 19.124 5.149 ( 0.067 0.779 -17.917) 17.934 9.387 ( 12.422 0.167 2.435) 12.659 9.461 ( 12.709 1.035 -5.296) 13.807 10.599 ( -6.992 -0.768 2.441) 7.446 10.673 ( -8.484 -1.175 -4.922) 9.879 11.033 ( -7.128 2.506 4.308) 8.697 11.081 ( -9.384 1.263 -0.447) 9.479======================= Grid point 529 (152/196) =======================q-point: ( 0.31 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( -2.176 -1.147 3.387) 4.186 1.307 ( -1.064 -1.742 -1.924) 2.805 1.682 ( 7.321 -0.691 5.607) 9.248 1.756 ( 9.692 0.576 -0.947) 9.755 1.954 ( 1.252 5.556 -0.020) 5.696 1.984 ( 3.262 4.595 -2.544) 6.183 2.343 ( 2.992 1.442 1.357) 3.588 2.387 ( 4.081 -0.257 -2.702) 4.901 3.028 ( 3.367 -5.838 1.775) 6.969 3.066 ( 1.600 -6.574 -1.973) 7.048 3.543 ( 2.140 3.754 4.475) 6.221 3.608 ( -1.434 3.881 -1.551) 4.419 3.959 ( 4.372 0.839 9.273) 10.287 3.976 ( 4.949 -0.186 5.450) 7.365 4.099 ( 6.024 -3.138 -0.837) 6.844 4.274 ( 4.514 -1.346 -10.717) 11.707 4.848 ( 7.944 0.375 16.306) 18.142 5.186 ( 4.646 0.946 -16.698) 17.358 9.599 ( 10.473 0.170 2.010) 10.666 9.659 ( 9.278 1.186 -4.115) 10.219 10.472 ( -7.270 -1.458 1.325) 7.532 10.527 ( -8.086 -1.879 -4.036) 9.231 10.883 ( -7.332 2.950 3.008) 8.456 10.902 ( -8.316 2.330 0.968) 8.691======================= Grid point 530 (153/196) =======================q-point: ( 0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -2.957 -1.181 4.970) 5.902 1.293 ( -0.731 0.343 -3.752) 3.838 1.797 ( 4.733 -0.077 4.602) 6.602 1.881 ( 3.722 -0.329 -3.487) 5.111 1.974 ( 2.838 4.363 2.461) 5.757 2.019 ( 2.419 2.833 -1.853) 4.161 2.358 ( 0.945 3.368 3.475) 4.931 2.437 ( 1.999 0.548 -4.141) 4.631 3.152 ( 3.395 -6.956 0.105) 7.741 3.156 ( 5.802 -6.970 -0.438) 9.079 3.522 ( -2.324 3.528 1.138) 4.375 3.534 ( -3.228 3.147 -0.008) 4.508 4.017 ( 2.477 1.423 13.850) 14.142 4.032 ( 1.807 0.823 5.647) 5.986 4.167 ( 0.603 -1.800 -2.051) 2.795 4.353 ( 2.248 -1.565 -11.588) 11.907 5.035 ( 10.472 -0.090 12.070) 15.980 5.301 ( 7.261 0.762 -13.909) 15.708 9.784 ( 9.627 0.239 0.548) 9.646 9.807 ( 7.420 0.928 -1.792) 7.689 10.340 ( -7.665 -1.441 0.560) 7.820 10.385 ( -8.332 -1.785 -3.802) 9.331 10.734 ( -6.338 2.260 3.323) 7.504 10.763 ( -5.202 2.382 0.535) 5.746======================= Grid point 531 (154/196) =======================q-point: ( 0.46 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( -1.251 -0.398 6.274) 6.410 1.280 ( -0.267 0.403 -5.021) 5.044 1.864 ( 2.358 0.085 3.704) 4.392 1.922 ( 0.590 -0.477 -2.233) 2.359 1.978 ( -0.108 1.575 2.797) 3.211 2.044 ( 1.002 1.043 -3.338) 3.638 2.362 ( 0.844 1.842 5.219) 5.599 2.462 ( 0.813 0.307 -4.612) 4.693 3.249 ( 2.949 -4.327 1.970) 5.594 3.292 ( 4.254 -5.332 -2.266) 7.188 3.437 ( -3.333 3.395 0.918) 4.845 3.466 ( -2.462 2.886 -1.784) 4.193 4.038 ( 0.573 0.570 19.243) 19.260 4.049 ( 0.531 0.493 6.603) 6.642 4.173 ( -0.173 -0.527 -5.191) 5.220 4.379 ( 0.294 -0.619 -13.194) 13.212 5.184 ( 4.452 -0.117 9.886) 10.843 5.407 ( 3.387 0.282 -11.880) 12.357 9.921 ( 4.578 0.422 1.468) 4.826 9.954 ( 7.627 0.369 -1.849) 7.857 10.212 ( -6.132 -1.269 -0.498) 6.282 10.241 ( -6.298 -0.322 -3.339) 7.136 10.643 ( -2.229 0.886 3.866) 4.550 10.686 ( -1.855 0.895 -0.308) 2.083======================= Grid point 539 (155/196) =======================q-point: ( 0.08 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( 9.595 -0.000 7.023) 11.891 1.215 ( 2.602 -0.000 7.284) 7.735 1.361 ( 6.977 -0.000 -0.919) 7.037 1.432 ( 1.352 -0.000 -6.035) 6.185 1.831 ( 12.209 -0.000 7.123) 14.135 1.959 ( 9.857 -0.000 -5.546) 11.310 2.151 ( 0.157 -0.000 1.141) 1.152 2.184 ( -2.052 0.000 -2.456) 3.201 3.002 ( -0.127 0.000 0.309) 0.334 3.019 ( -1.820 0.000 -1.761) 2.533 3.272 ( 13.902 -0.000 2.886) 14.199 3.318 ( 15.291 -0.000 -1.778) 15.394 3.537 ( 9.973 -0.000 7.106) 12.245 3.672 ( 10.541 -0.000 -5.165) 11.738 4.047 ( -5.939 0.000 11.442) 12.891 4.281 ( -3.858 0.000 -10.651) 11.328 4.800 ( -2.223 0.000 19.492) 19.618 5.176 ( -1.752 0.000 -17.651) 17.738 9.143 ( 13.325 -0.000 1.523) 13.412 9.200 ( 15.636 -0.000 -4.711) 16.330 10.724 ( -6.416 0.000 3.622) 7.368 10.825 ( -8.120 0.000 -6.284) 10.268 11.179 ( -6.160 0.000 5.401) 8.193 11.255 ( -8.323 0.000 -1.751) 8.505======================= Grid point 540 (156/196) =======================q-point: ( 0.15 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 1.512 -0.103 2.718) 3.111 1.278 ( -0.031 -1.177 0.386) 1.239 1.516 ( 9.168 0.029 4.132) 10.056 1.557 ( 10.897 -0.351 -0.062) 10.903 1.977 ( 3.780 1.159 1.357) 4.180 2.034 ( -0.412 2.260 -4.318) 4.891 2.243 ( 7.154 -0.145 -0.244) 7.159 2.245 ( 8.519 -0.525 -0.161) 8.537 2.965 ( -2.507 -1.293 0.303) 2.837 2.987 ( -0.931 -2.067 -1.559) 2.752 3.499 ( 8.637 1.705 6.338) 10.848 3.598 ( 11.099 2.067 -3.541) 11.832 3.762 ( 12.930 -1.421 4.539) 13.777 3.867 ( 9.842 -0.635 -3.310) 10.403 3.962 ( -1.512 -0.519 12.502) 12.604 4.228 ( -1.030 -0.029 -11.546) 11.592 4.778 ( 0.626 0.238 19.325) 19.337 5.155 ( 0.072 0.288 -17.809) 17.812 9.388 ( 12.411 0.060 2.581) 12.677 9.469 ( 12.729 0.374 -5.860) 14.018 10.594 ( -7.286 -0.273 2.077) 7.582 10.665 ( -8.692 -0.394 -4.950) 10.010 11.053 ( -6.964 0.984 4.014) 8.098 11.089 ( -9.105 0.343 0.634) 9.134======================= Grid point 541 (157/196) =======================q-point: ( 0.23 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( -2.568 -0.637 2.938) 3.954 1.291 ( 0.507 -1.062 -1.891) 2.228 1.677 ( 7.544 -0.296 5.486) 9.332 1.761 ( 9.417 0.319 -2.223) 9.681 2.007 ( 0.913 3.946 -0.413) 4.071 2.024 ( 2.221 2.528 -1.716) 3.778 2.355 ( 4.173 0.686 0.803) 4.305 2.383 ( 4.949 -0.303 -1.904) 5.312 2.976 ( 2.668 -3.532 1.329) 4.622 3.008 ( 1.548 -3.967 -1.698) 4.585 3.577 ( 1.644 2.416 4.973) 5.768 3.645 ( -2.380 2.669 -1.128) 3.750 3.959 ( 6.222 -0.596 4.559) 7.736 3.977 ( 4.253 0.326 11.373) 12.146 4.071 ( 6.799 -2.007 -2.219) 7.428 4.263 ( 4.132 -0.678 -11.093) 11.856 4.851 ( 7.719 0.226 16.663) 18.366 5.194 ( 4.580 0.528 -16.784) 17.406 9.600 ( 10.460 0.095 2.217) 10.693 9.669 ( 9.173 0.674 -4.827) 10.387 10.460 ( -7.310 -0.811 1.056) 7.431 10.511 ( -8.057 -0.934 -4.027) 9.055 10.909 ( -7.836 1.847 2.965) 8.580 10.920 ( -8.030 0.989 1.815) 8.292======================= Grid point 542 (158/196) =======================q-point: ( 0.31 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( -2.537 -0.738 5.346) 5.963 1.296 ( -0.259 0.210 -4.615) 4.627 1.795 ( 4.963 -0.134 4.099) 6.438 1.878 ( 3.357 -0.270 -3.846) 5.112 2.017 ( 1.394 3.484 1.672) 4.108 2.044 ( 1.174 1.705 -0.925) 2.267 2.391 ( 1.131 2.625 2.350) 3.700 2.444 ( 2.291 0.722 -2.877) 3.748 3.086 ( 4.397 -5.056 -0.066) 6.700 3.090 ( 5.837 -5.203 -0.523) 7.836 3.558 ( -2.368 2.919 1.328) 3.986 3.565 ( -3.183 2.476 0.627) 4.081 4.027 ( 1.936 0.506 13.654) 13.799 4.035 ( 1.639 -0.097 8.069) 8.235 4.150 ( 1.496 -1.260 -4.327) 4.749 4.339 ( 2.677 -0.951 -11.843) 12.179 5.035 ( 10.368 0.010 12.491) 16.233 5.309 ( 7.048 0.538 -14.181) 15.845 9.786 ( 9.698 0.149 0.647) 9.720 9.816 ( 7.176 0.706 -2.400) 7.599 10.326 ( -7.566 -1.098 0.538) 7.664 10.370 ( -7.817 -1.055 -3.726) 8.723 10.755 ( -6.916 1.508 3.681) 7.978 10.784 ( -5.794 1.613 0.698) 6.054======================= Grid point 543 (159/196) =======================q-point: ( 0.38 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -0.793 -0.230 6.505) 6.557 1.284 ( -0.637 0.298 -5.462) 5.507 1.865 ( 2.331 0.084 3.044) 3.835 1.916 ( 0.777 -0.597 -2.115) 2.331 1.994 ( -1.728 1.313 2.635) 3.414 2.052 ( -0.174 0.534 -2.837) 2.892 2.380 ( -1.059 1.473 4.699) 5.037 2.468 ( 0.708 0.852 -4.046) 4.195 3.205 ( 5.618 -3.640 1.137) 6.790 3.236 ( 6.239 -4.756 -1.932) 8.079 3.474 ( -3.595 3.320 1.159) 5.029 3.502 ( -2.904 3.422 -1.410) 4.705 4.038 ( -0.428 -0.540 19.733) 19.745 4.048 ( -0.284 -0.584 6.517) 6.550 4.169 ( 0.559 -0.141 -5.657) 5.687 4.374 ( 1.038 -0.254 -13.191) 13.235 5.184 ( 4.585 0.005 10.067) 11.062 5.410 ( 3.108 0.267 -12.034) 12.431 9.926 ( 4.275 0.525 1.140) 4.456 9.958 ( 7.530 0.207 -1.928) 7.775 10.199 ( -5.660 -1.142 0.107) 5.775 10.238 ( -5.571 -0.269 -3.683) 6.684 10.652 ( -3.144 0.703 3.989) 5.127 10.695 ( -2.774 0.778 -0.254) 2.892======================= Grid point 544 (160/196) =======================q-point: (-0.54 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 1.785 0.516 6.025) 6.305 1.276 ( -0.130 -0.436 -4.393) 4.416 1.863 ( -2.517 -0.030 4.309) 4.990 1.924 ( -0.217 -0.221 -1.899) 1.924 1.963 ( -1.585 -1.082 2.201) 2.920 2.030 ( -2.271 -1.378 -3.815) 4.649 2.343 ( -2.525 -1.608 6.236) 6.917 2.461 ( -1.063 0.171 -5.404) 5.510 3.291 ( 1.216 3.057 2.284) 4.005 3.340 ( 0.745 2.807 -2.696) 3.963 3.410 ( 0.379 -0.879 1.310) 1.622 3.447 ( 0.142 -0.335 -2.193) 2.223 4.026 ( -1.462 -1.638 17.283) 17.422 4.037 ( -1.352 -1.612 6.006) 6.364 4.180 ( 0.797 0.707 -2.839) 3.033 4.387 ( 0.446 0.843 -12.926) 12.962 5.186 ( -4.301 0.237 9.626) 10.545 5.404 ( -3.702 -0.228 -11.688) 12.263 9.917 ( -4.993 -0.195 1.628) 5.255 9.950 ( -7.629 -0.475 -1.620) 7.814 10.225 ( 6.319 1.054 -1.079) 6.496 10.244 ( 7.492 0.349 -3.029) 8.089 10.634 ( 1.180 -0.882 3.801) 4.076 10.677 ( 0.843 -0.791 -0.398) 1.222======================= Grid point 545 (161/196) =======================q-point: (-0.46 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 3.458 1.498 4.474) 5.850 1.288 ( 1.270 -0.472 -2.469) 2.816 1.796 ( -4.550 -0.314 5.374) 7.049 1.884 ( -4.484 -0.092 -2.806) 5.290 1.930 ( -3.572 -3.469 2.275) 5.474 1.985 ( -3.698 -3.302 -2.780) 5.684 2.322 ( -0.928 -3.301 5.094) 6.140 2.432 ( -1.967 -0.356 -5.536) 5.886 3.229 ( -2.972 7.311 0.271) 7.897 3.234 ( -5.398 7.366 -0.260) 9.135 3.486 ( 2.438 -3.148 0.846) 4.071 3.501 ( 3.295 -2.943 -0.648) 4.465 3.997 ( -2.891 -2.273 12.280) 12.819 4.017 ( -1.858 -1.925 4.378) 5.131 4.187 ( 0.181 1.768 0.644) 1.890 4.372 ( -1.795 1.834 -11.119) 11.411 5.037 ( -10.607 0.240 11.452) 15.612 5.293 ( -7.547 -0.818 -13.542) 15.524 9.781 ( -9.475 -0.309 0.484) 9.492 9.797 ( -7.806 -0.890 -1.174) 7.944 10.356 ( 7.939 1.447 0.835) 8.113 10.408 ( 9.082 2.366 -4.120) 10.249 10.707 ( 5.576 -2.698 2.934) 6.854 10.735 ( 4.299 -2.674 0.326) 5.073======================= Grid point 546 (162/196) =======================q-point: (-0.38 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 1.742 1.346 3.930) 4.504 1.327 ( 2.788 1.855 -1.846) 3.824 1.691 ( -6.796 0.770 5.940) 9.059 1.749 ( -9.341 -0.606 0.951) 9.408 1.897 ( -1.773 -4.781 -0.327) 5.109 1.930 ( -4.283 -5.188 -3.340) 7.511 2.323 ( -1.798 -2.421 2.343) 3.819 2.387 ( -3.450 -0.187 -3.753) 5.101 3.096 ( -4.284 6.725 2.278) 8.292 3.143 ( -1.857 7.469 -2.278) 8.026 3.501 ( -2.711 -3.846 3.938) 6.136 3.566 ( 0.572 -3.807 -2.173) 4.421 3.944 ( -3.590 -1.795 10.168) 10.931 3.976 ( -4.118 -0.384 3.062) 5.147 4.134 ( -5.239 3.300 0.575) 6.218 4.291 ( -5.090 1.774 -9.975) 11.338 4.843 ( -8.316 -0.405 15.731) 17.798 5.174 ( -4.724 -1.167 -16.572) 17.271 9.597 ( -10.484 -0.197 1.710) 10.625 9.645 ( -9.445 -1.431 -3.142) 10.057 10.490 ( 7.258 1.866 1.894) 7.730 10.552 ( 8.116 2.781 -4.110) 9.513 10.848 ( 6.847 -3.591 2.688) 8.185 10.871 ( 8.477 -3.414 0.056) 9.139======================= Grid point 547 (163/196) =======================q-point: (-0.31 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( -1.502 0.245 4.756) 4.993 1.329 ( -2.960 2.446 -1.835) 4.256 1.530 ( -8.660 2.336 6.332) 10.979 1.596 ( -4.793 3.645 1.145) 6.129 1.898 ( -2.263 -6.120 -1.796) 6.768 1.920 ( 0.798 -6.637 -2.952) 7.307 2.249 ( -6.703 0.005 1.037) 6.783 2.279 ( -8.099 2.133 -1.451) 8.500 3.029 ( 0.192 3.807 2.871) 4.772 3.088 ( -0.329 5.947 -2.951) 6.647 3.419 ( -8.680 -4.633 5.388) 11.218 3.513 ( -9.583 -4.447 -4.002) 11.297 3.814 ( -11.912 2.396 4.299) 12.888 3.884 ( -6.267 0.303 3.066) 6.984 3.996 ( -3.074 2.375 6.549) 7.615 4.230 ( 0.101 0.073 -11.084) 11.085 4.765 ( -0.907 -0.855 18.702) 18.744 5.139 ( -0.024 -1.054 -18.101) 18.131 9.384 ( -12.444 -0.233 2.167) 12.634 9.448 ( -12.666 -1.460 -4.324) 13.463 10.610 ( 6.463 1.136 3.167) 7.287 10.690 ( 8.040 1.896 -4.867) 9.588 11.002 ( 7.469 -3.334 4.354) 9.266 11.062 ( 9.913 -2.265 -1.957) 10.355======================= Grid point 548 (164/196) =======================q-point: (-0.23 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( -10.223 -0.938 5.501) 11.647 1.225 ( -4.171 -1.387 0.742) 4.458 1.372 ( -6.004 5.749 7.976) 11.520 1.535 ( 0.079 7.026 -5.611) 8.992 1.885 ( -3.715 -0.102 2.599) 4.535 1.959 ( -2.145 -1.905 -3.254) 4.338 2.102 ( -6.677 -0.225 1.059) 6.765 2.120 ( -3.926 -2.729 -1.049) 4.895 3.017 ( -3.303 -1.002 0.739) 3.529 3.034 ( -5.501 0.243 -0.909) 5.581 3.246 ( -9.139 -0.865 3.252) 9.739 3.306 ( -9.729 0.416 -2.802) 10.133 3.581 ( -9.883 2.747 6.419) 12.100 3.705 ( -9.679 2.436 -4.594) 10.987 4.035 ( 4.694 -1.117 11.453) 12.428 4.273 ( 3.434 -0.717 -10.795) 11.351 4.785 ( 1.828 -1.082 19.260) 19.377 5.165 ( 1.728 -0.902 -18.210) 18.314 9.140 ( -13.346 -0.246 1.389) 13.421 9.189 ( -15.276 -0.963 -3.784) 15.767 10.720 ( 5.509 -0.252 4.632) 7.202 10.828 ( 7.108 0.277 -6.007) 9.310 11.154 ( 7.005 -1.872 5.819) 9.297 11.253 ( 9.359 -0.524 -4.150) 10.251======================= Grid point 549 (165/196) =======================q-point: (-0.15 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( -7.516 -1.154 11.021) 13.390 1.176 ( -2.266 -2.718 -1.794) 3.968 1.238 ( -5.393 3.602 7.722) 10.084 1.486 ( -1.804 5.601 -11.479) 12.899 1.705 ( -8.038 11.177 9.288) 16.608 1.843 ( -5.163 8.478 -3.848) 10.646 2.114 ( 2.812 -9.186 3.250) 10.142 2.185 ( 3.790 -8.253 -3.884) 9.877 2.865 ( -10.880 -4.995 0.279) 11.975 2.871 ( -10.987 -5.347 -0.388) 12.225 3.160 ( -0.653 3.308 4.355) 5.508 3.239 ( 1.834 3.935 -3.650) 5.672 3.426 ( -4.956 4.042 4.991) 8.112 3.519 ( -7.938 4.170 -3.788) 9.734 4.134 ( 4.091 -2.132 10.073) 11.079 4.341 ( 2.847 -1.004 -9.785) 10.240 4.827 ( 1.643 -1.555 18.966) 19.100 5.200 ( 1.332 -0.820 -17.878) 17.946 8.916 ( -10.519 -0.448 -0.136) 10.530 8.925 ( -10.945 0.099 -1.113) 11.002 10.810 ( 3.409 -1.293 5.806) 6.856 10.942 ( 4.501 -1.186 -7.077) 8.470 11.270 ( 4.364 -0.531 6.755) 8.059 11.400 ( 5.990 1.032 -6.196) 8.679======================= Grid point 550 (166/196) =======================q-point: (-0.08 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( -0.000 -1.569 14.771) 14.854 1.133 ( 0.000 4.700 16.058) 16.731 1.203 ( -0.000 -6.438 -12.208) 13.801 1.438 ( 0.000 2.836 -14.281) 14.560 1.564 ( 0.000 10.137 12.205) 15.866 1.737 ( 0.000 10.231 -5.157) 11.457 2.208 ( -0.000 -9.128 3.268) 9.695 2.272 ( -0.000 -6.218 -3.270) 7.026 2.773 ( -0.000 -4.338 0.343) 4.351 2.780 ( -0.000 -4.006 -0.355) 4.022 3.143 ( 0.000 2.132 6.285) 6.637 3.258 ( 0.000 2.018 -5.158) 5.539 3.352 ( 0.000 4.963 2.870) 5.733 3.400 ( 0.000 5.003 -1.862) 5.338 4.187 ( -0.000 -1.720 9.192) 9.351 4.375 ( -0.000 -0.806 -9.035) 9.071 4.853 ( -0.000 -1.563 18.373) 18.439 5.217 ( -0.000 -0.640 -17.489) 17.501 8.797 ( 0.000 0.046 1.503) 1.504 8.827 ( 0.000 0.025 -1.513) 1.513 10.851 ( -0.000 -1.300 6.150) 6.286 10.994 ( -0.000 -1.381 -7.842) 7.963 11.313 ( -0.000 -0.179 7.029) 7.032 11.451 ( 0.000 1.441 -6.687) 6.841======================= Grid point 553 (167/196) =======================q-point: ( 0.15 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( -2.756 0.000 2.759) 3.900 1.285 ( 1.164 -0.000 -1.860) 2.194 1.676 ( 7.586 -0.000 5.443) 9.337 1.763 ( 9.255 -0.000 -2.654) 9.628 2.032 ( 0.306 -0.000 -1.126) 1.167 2.035 ( 2.208 -0.000 -0.921) 2.393 2.358 ( 4.675 -0.000 0.630) 4.717 2.381 ( 5.373 -0.000 -1.585) 5.602 2.956 ( 2.410 -0.000 1.149) 2.670 2.986 ( 1.560 -0.000 -1.591) 2.228 3.591 ( 1.431 -0.000 5.199) 5.392 3.660 ( -2.864 0.000 -0.982) 3.028 3.955 ( 6.877 -0.000 3.750) 7.833 3.979 ( 4.060 -0.000 12.691) 13.324 4.059 ( 7.165 -0.000 -2.868) 7.717 4.260 ( 4.004 -0.000 -11.187) 11.882 4.852 ( 7.645 -0.000 16.783) 18.442 5.197 ( 4.554 -0.000 -16.815) 17.421 9.601 ( 10.454 -0.000 2.291) 10.702 9.673 ( 9.137 -0.000 -5.090) 10.460 10.455 ( -7.331 0.000 0.983) 7.397 10.506 ( -8.044 0.000 -4.033) 8.998 10.921 ( -8.870 0.000 2.742) 9.284 10.923 ( -7.074 0.000 2.317) 7.444======================= Grid point 554 (168/196) =======================q-point: ( 0.23 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( -2.297 -0.249 5.552) 6.014 1.297 ( 0.015 0.071 -5.037) 5.037 1.794 ( 5.079 -0.053 3.833) 6.363 1.876 ( 3.180 -0.103 -4.057) 5.156 2.046 ( 0.131 1.683 0.744) 1.844 2.054 ( 0.637 0.185 -0.145) 0.679 2.411 ( 1.174 0.975 1.912) 2.446 2.451 ( 2.631 0.415 -2.174) 3.438 3.048 ( 5.639 -1.805 -0.245) 5.926 3.050 ( 5.370 -2.042 -0.501) 5.767 3.581 ( -2.302 1.276 1.336) 2.952 3.584 ( -3.316 0.838 1.137) 3.605 4.029 ( 1.722 0.087 8.538) 8.710 4.032 ( 1.306 -0.244 14.010) 14.073 4.141 ( 2.141 -0.420 -5.311) 5.741 4.333 ( 2.934 -0.301 -11.892) 12.252 5.035 ( 10.313 0.018 12.694) 16.356 5.313 ( 6.935 0.194 -14.323) 15.915 9.787 ( 9.726 0.050 0.715) 9.752 9.821 ( 7.060 0.265 -2.781) 7.592 10.318 ( -7.544 -0.413 0.610) 7.580 10.362 ( -7.558 -0.344 -3.745) 8.442 10.766 ( -7.235 0.530 3.884) 8.228 10.796 ( -6.080 0.568 0.791) 6.157======================= Grid point 555 (169/196) =======================q-point: ( 0.31 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -0.481 -0.093 6.669) 6.687 1.287 ( -0.905 0.154 -5.693) 5.767 1.866 ( 2.378 0.054 2.521) 3.466 1.910 ( 0.776 -0.389 -2.024) 2.202 2.005 ( -2.823 0.721 2.325) 3.727 2.056 ( -1.008 0.168 -2.462) 2.665 2.392 ( -2.486 0.746 4.731) 5.396 2.478 ( 0.517 0.806 -3.855) 3.972 3.175 ( 7.250 -1.863 0.240) 7.489 3.194 ( 7.400 -2.926 -1.510) 8.099 3.504 ( -3.472 2.090 1.535) 4.333 3.533 ( -2.734 2.264 -1.237) 3.759 4.030 ( -1.162 -0.764 18.960) 19.011 4.039 ( -0.856 -0.746 6.053) 6.159 4.169 ( 1.045 0.043 -4.647) 4.763 4.373 ( 1.555 -0.035 -13.015) 13.107 5.184 ( 4.676 0.043 10.158) 11.183 5.412 ( 2.919 0.164 -12.127) 12.475 9.931 ( 4.115 0.386 0.777) 4.206 9.959 ( 7.397 0.064 -1.888) 7.634 10.189 ( -5.255 -0.683 0.575) 5.330 10.235 ( -5.174 -0.157 -3.946) 6.509 10.658 ( -3.759 0.387 4.105) 5.580 10.702 ( -3.402 0.451 -0.231) 3.439======================= Grid point 556 (170/196) =======================q-point: (-0.62 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 2.294 0.469 5.804) 6.259 1.271 ( -0.485 -0.357 -3.733) 3.781 1.863 ( -2.791 0.073 4.772) 5.529 1.917 ( -0.533 -0.969 -0.673) 1.295 1.956 ( -2.137 -0.175 0.505) 2.203 2.016 ( -3.357 -1.205 -4.145) 5.468 2.329 ( -3.678 -1.016 7.268) 8.209 2.464 ( -1.441 0.304 -6.101) 6.276 3.311 ( 5.478 0.758 1.323) 5.686 3.342 ( 6.570 -1.469 -1.663) 6.935 3.426 ( -3.512 2.778 0.930) 4.573 3.460 ( -2.920 2.298 -2.004) 4.221 4.006 ( -2.061 -1.827 15.067) 15.316 4.017 ( -1.992 -1.853 5.446) 6.087 4.187 ( 1.142 0.539 -0.355) 1.312 4.396 ( 0.987 0.711 -12.574) 12.633 5.189 ( -4.167 0.242 9.357) 10.246 5.402 ( -3.978 -0.139 -11.505) 12.174 9.917 ( -5.429 0.013 1.611) 5.663 9.945 ( -7.538 -0.450 -1.304) 7.663 10.234 ( 5.941 0.593 -1.481) 6.151 10.248 ( 9.116 0.353 -2.862) 9.561 10.625 ( 0.228 -0.657 3.807) 3.870 10.670 ( -0.018 -0.526 -0.504) 0.729======================= Grid point 557 (171/196) =======================q-point: (-0.54 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 3.927 1.575 3.890) 5.748 1.282 ( 1.737 -0.600 -0.923) 2.057 1.789 ( -4.891 -1.002 6.334) 8.065 1.874 ( -5.441 -1.640 -0.125) 5.684 1.910 ( -3.053 -0.344 -0.891) 3.199 1.951 ( -4.532 -2.877 -3.414) 6.362 2.289 ( -1.333 -2.690 6.803) 7.436 2.429 ( -2.166 -0.244 -6.740) 7.084 3.302 ( -3.585 5.936 0.552) 6.957 3.310 ( -4.335 6.428 -0.039) 7.754 3.457 ( 2.733 -1.969 0.413) 3.394 3.473 ( 3.321 -2.179 -1.194) 4.148 3.970 ( -3.099 -2.551 10.623) 11.356 3.992 ( -1.790 -2.432 3.592) 4.693 4.204 ( 0.765 1.313 2.911) 3.283 4.390 ( -1.434 1.581 -10.634) 10.846 5.040 ( -10.741 0.320 10.755) 15.203 5.285 ( -7.848 -0.692 -13.150) 15.330 9.778 ( -9.194 -0.335 0.523) 9.215 9.789 ( -8.331 -0.634 -0.738) 8.388 10.370 ( 8.390 1.204 1.331) 8.580 10.434 ( 10.095 2.498 -4.736) 11.427 10.678 ( 4.598 -2.719 2.761) 6.014 10.708 ( 3.231 -2.313 0.058) 3.974======================= Grid point 558 (172/196) =======================q-point: (-0.46 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 1.268 1.111 4.437) 4.746 1.345 ( 4.024 1.514 -1.641) 4.602 1.692 ( -6.455 -0.861 6.894) 9.483 1.748 ( -7.005 0.577 2.354) 7.412 1.859 ( -2.662 -2.066 -1.180) 3.570 1.877 ( -5.070 -4.516 -3.933) 7.846 2.292 ( -1.181 -3.338 3.753) 5.160 2.382 ( -3.392 -0.692 -4.940) 6.033 3.167 ( -5.099 6.362 2.711) 8.593 3.221 ( -2.279 6.934 -2.458) 7.701 3.463 ( -3.313 -3.102 3.399) 5.670 3.529 ( -0.182 -3.117 -2.863) 4.236 3.923 ( -2.943 -2.108 9.686) 10.340 3.967 ( -2.840 -1.121 2.120) 3.717 4.168 ( -4.544 2.798 1.743) 5.614 4.310 ( -5.716 1.724 -9.027) 10.823 4.839 ( -8.792 -0.325 15.020) 17.407 5.162 ( -4.786 -1.130 -16.430) 17.150 9.595 ( -10.479 -0.146 1.363) 10.568 9.629 ( -9.653 -1.385 -2.126) 9.981 10.511 ( 7.308 2.007 2.809) 8.082 10.586 ( 8.152 3.532 -4.283) 9.863 10.808 ( 6.323 -3.642 2.013) 7.569 10.830 ( 8.610 -4.129 -0.762) 9.579======================= Grid point 559 (173/196) =======================q-point: (-0.38 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -2.616 0.071 5.468) 6.062 1.349 ( -4.504 1.414 -2.683) 5.430 1.567 ( -4.619 4.046 7.411) 9.624 1.645 ( -1.889 5.430 2.331) 6.203 1.825 ( -2.818 -6.912 -2.036) 7.737 1.857 ( 0.070 -4.859 -3.425) 5.945 2.242 ( -5.695 -1.334 2.013) 6.186 2.296 ( -6.376 0.758 -2.702) 6.966 3.071 ( -2.119 3.986 4.380) 6.290 3.150 ( -2.319 5.423 -3.408) 6.811 3.371 ( -8.187 -4.091 4.773) 10.322 3.468 ( -8.495 -3.934 -4.802) 10.521 3.836 ( -11.134 1.732 4.317) 12.066 3.884 ( -3.960 -0.103 5.525) 6.798 4.022 ( -5.885 2.344 4.141) 7.568 4.230 ( -0.726 0.001 -10.626) 10.651 4.755 ( -0.970 -0.844 18.234) 18.279 5.128 ( 0.085 -1.061 -18.313) 18.343 9.382 ( -12.483 -0.227 1.823) 12.617 9.431 ( -12.596 -1.571 -3.181) 13.086 10.623 ( 5.785 1.332 4.216) 7.281 10.713 ( 7.285 2.416 -4.734) 9.018 10.964 ( 8.110 -3.460 3.890) 9.637 11.033 ( 10.587 -3.002 -3.478) 11.541======================= Grid point 560 (174/196) =======================q-point: (-0.31 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( -8.771 0.712 4.364) 9.823 1.209 ( -6.600 -1.059 0.194) 6.688 1.458 ( -3.835 9.571 9.111) 13.760 1.614 ( 0.765 7.407 -3.876) 8.394 1.838 ( -0.413 -7.330 0.758) 7.381 1.914 ( 2.210 -6.400 -4.721) 8.254 2.119 ( -6.208 1.673 1.529) 6.609 2.132 ( -8.336 5.044 0.807) 9.776 2.995 ( -8.300 -2.667 1.927) 8.928 3.023 ( -11.378 -1.989 -0.809) 11.578 3.245 ( -4.649 0.304 3.438) 5.790 3.319 ( -4.838 1.733 -3.918) 6.462 3.606 ( -10.200 1.854 6.455) 12.213 3.731 ( -9.011 2.276 -4.559) 10.352 4.021 ( 3.368 -1.460 11.775) 12.333 4.264 ( 3.065 -0.854 -10.944) 11.397 4.775 ( 1.740 -0.827 18.806) 18.905 5.155 ( 1.760 -0.926 -18.663) 18.769 9.137 ( -13.398 -0.331 1.272) 13.462 9.177 ( -14.855 -1.099 -2.929) 15.181 10.718 ( 4.666 -0.185 5.594) 7.287 10.831 ( 5.962 0.286 -5.495) 8.113 11.134 ( 8.111 -1.644 5.240) 9.796 11.243 ( 10.186 -1.317 -5.737) 11.764======================= Grid point 561 (175/196) =======================q-point: (-0.23 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( -6.727 2.139 7.827) 10.540 1.131 ( -3.272 -3.858 -4.654) 6.874 1.317 ( -5.248 9.612 11.918) 16.186 1.554 ( -2.920 6.858 -10.489) 12.868 1.826 ( -3.607 8.401 7.591) 11.883 1.921 ( -1.376 3.311 0.282) 3.597 2.038 ( 0.077 -0.601 0.929) 1.109 2.084 ( 2.357 -9.220 -3.538) 10.153 2.801 ( -12.238 -6.546 0.024) 13.878 2.803 ( -11.737 -7.061 -0.148) 13.698 3.197 ( -0.731 3.346 4.764) 5.867 3.284 ( 1.311 4.189 -3.992) 5.933 3.463 ( -4.067 2.501 5.473) 7.263 3.568 ( -6.171 4.541 -4.245) 8.758 4.104 ( 3.370 -3.277 10.858) 11.832 4.328 ( 2.650 -1.344 -10.469) 10.883 4.812 ( 1.401 -1.209 18.935) 19.026 5.190 ( 1.308 -0.941 -18.540) 18.610 8.910 ( -10.510 -0.493 0.287) 10.525 8.926 ( -10.450 0.030 -1.209) 10.520 10.795 ( 2.878 -1.519 6.598) 7.357 10.927 ( 3.676 -1.595 -6.145) 7.336 11.267 ( 5.085 -0.039 6.221) 8.035 11.408 ( 6.558 0.332 -7.824) 10.214======================= Grid point 562 (176/196) =======================q-point: (-0.15 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 0.000 1.092 11.038) 11.092 1.131 ( -0.000 -6.130 -9.146) 11.010 1.205 ( 0.000 8.473 14.399) 16.707 1.481 ( 0.000 5.207 -13.064) 14.063 1.705 ( 0.000 15.186 11.807) 19.236 1.865 ( 0.000 11.983 -3.741) 12.553 2.093 ( -0.000 -10.717 3.900) 11.405 2.178 ( -0.000 -10.566 -4.468) 11.472 2.711 ( -0.000 -6.942 0.270) 6.947 2.719 ( -0.000 -7.014 -0.496) 7.031 3.171 ( 0.000 2.996 6.271) 6.950 3.286 ( 0.000 2.924 -5.083) 5.864 3.408 ( 0.000 4.646 3.375) 5.743 3.469 ( 0.000 7.223 -2.383) 7.606 4.158 ( -0.000 -3.479 9.749) 10.351 4.363 ( -0.000 -1.393 -9.791) 9.890 4.834 ( -0.000 -1.786 18.840) 18.925 5.209 ( -0.000 -0.959 -18.211) 18.236 8.797 ( 0.000 0.081 1.486) 1.488 8.828 ( 0.000 0.044 -1.500) 1.500 10.833 ( -0.000 -1.966 6.795) 7.073 10.974 ( -0.000 -2.227 -6.832) 7.186 11.314 ( 0.000 0.345 6.855) 6.863 11.467 ( 0.000 1.302 -8.419) 8.519======================= Grid point 567 (177/196) =======================q-point: ( 0.23 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -0.371 0.000 6.729) 6.740 1.287 ( -1.004 0.000 -5.760) 5.847 1.866 ( 2.408 -0.000 2.321) 3.345 1.908 ( 0.752 -0.000 -1.997) 2.133 2.009 ( -3.205 0.000 2.176) 3.874 2.056 ( -1.311 0.000 -2.321) 2.666 2.396 ( -2.982 0.000 4.841) 5.686 2.483 ( 0.374 -0.000 -3.842) 3.860 3.166 ( 7.856 -0.000 -0.304) 7.862 3.177 ( 7.788 -0.000 -1.151) 7.872 3.516 ( -3.388 0.000 1.696) 3.788 3.546 ( -2.617 0.000 -1.189) 2.875 4.025 ( -1.417 0.000 18.429) 18.483 4.035 ( -1.065 0.000 5.879) 5.974 4.169 ( 1.196 -0.000 -4.058) 4.231 4.373 ( 1.734 -0.000 -12.917) 13.033 5.184 ( 4.709 -0.000 10.183) 11.219 5.413 ( 2.852 -0.000 -12.158) 12.488 9.933 ( 4.069 -0.000 0.609) 4.114 9.959 ( 7.334 -0.000 -1.846) 7.563 10.185 ( -5.100 0.000 0.754) 5.156 10.234 ( -5.048 0.000 -4.044) 6.468 10.660 ( -3.976 0.000 4.152) 5.748 10.705 ( -3.623 0.000 -0.226) 3.630======================= Grid point 568 (178/196) =======================q-point: (-0.69 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 2.628 0.195 5.669) 6.251 1.269 ( -0.711 -0.143 -3.296) 3.375 1.864 ( -3.048 0.078 5.104) 5.945 1.908 ( -1.077 -0.520 -0.168) 1.208 1.956 ( -1.926 0.031 -0.438) 1.975 2.007 ( -4.001 -0.481 -4.305) 5.897 2.321 ( -4.261 -0.339 7.888) 8.971 2.467 ( -1.719 0.139 -6.493) 6.718 3.314 ( 7.055 0.139 0.084) 7.057 3.327 ( 7.472 -0.896 -0.788) 7.567 3.450 ( -3.404 1.306 0.999) 3.780 3.482 ( -3.715 1.304 -1.784) 4.323 3.991 ( -2.373 -0.816 13.757) 13.984 4.002 ( -2.357 -0.836 5.163) 5.737 4.191 ( 1.280 0.194 1.060) 1.673 4.401 ( 1.258 0.274 -12.352) 12.419 5.191 ( -4.086 0.103 9.185) 10.053 5.401 ( -4.140 -0.046 -11.392) 12.121 9.917 ( -5.735 0.052 1.527) 5.935 9.941 ( -7.427 -0.203 -1.056) 7.505 10.237 ( 5.588 0.167 -1.638) 5.826 10.251 ( 10.218 0.165 -2.848) 10.609 10.620 ( -0.349 -0.244 3.837) 3.861 10.666 ( -0.509 -0.183 -0.577) 0.791======================= Grid point 569 (179/196) =======================q-point: (-0.62 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 4.364 1.334 3.233) 5.593 1.275 ( 1.940 -0.723 0.557) 2.144 1.777 ( -5.735 -1.037 6.905) 9.035 1.859 ( -4.862 -0.905 0.798) 5.009 1.911 ( -3.626 0.249 -2.897) 4.647 1.927 ( -4.336 -1.560 -3.330) 5.685 2.266 ( -1.947 -1.558 8.159) 8.531 2.427 ( -2.421 -0.139 -7.553) 7.933 3.351 ( -3.920 2.898 1.077) 4.992 3.366 ( -3.570 3.878 0.200) 5.275 3.445 ( 2.993 -0.308 -0.336) 3.027 3.455 ( 3.076 -1.164 -1.519) 3.623 3.946 ( -3.165 -1.798 9.513) 10.185 3.969 ( -1.662 -1.778 3.144) 3.976 4.214 ( 1.132 0.679 4.379) 4.574 4.404 ( -1.210 0.900 -10.303) 10.413 5.043 ( -10.836 0.232 10.190) 14.877 5.279 ( -8.083 -0.399 -12.842) 15.179 9.774 ( -8.902 -0.240 0.643) 8.928 9.784 ( -8.808 -0.299 -0.545) 8.830 10.381 ( 8.849 0.707 1.827) 9.064 10.458 ( 11.337 1.800 -5.573) 12.760 10.652 ( 3.360 -1.935 3.026) 4.919 10.688 ( 2.367 -1.335 -0.246) 2.729======================= Grid point 570 (180/196) =======================q-point: (-0.54 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 0.868 0.596 4.870) 4.982 1.358 ( 4.471 0.976 -1.452) 4.801 1.676 ( -5.864 -1.792 7.652) 9.806 1.759 ( -4.232 1.174 2.922) 5.275 1.835 ( -4.979 -2.996 -4.282) 7.218 1.852 ( -3.726 0.406 -1.750) 4.137 2.254 ( -1.389 -3.331 5.428) 6.518 2.374 ( -3.768 -0.810 -6.099) 7.214 3.228 ( -5.461 4.773 3.104) 7.889 3.287 ( -2.585 5.150 -2.385) 6.236 3.436 ( -4.057 -1.966 2.779) 5.296 3.500 ( -1.026 -2.260 -3.509) 4.298 3.901 ( -2.198 -1.777 9.271) 9.692 3.954 ( -1.639 -1.215 1.498) 2.531 4.193 ( -3.969 1.863 2.562) 5.078 4.327 ( -6.247 1.214 -8.174) 10.359 4.836 ( -9.257 -0.192 14.342) 17.071 5.151 ( -4.816 -0.825 -16.304) 17.021 9.594 ( -10.445 -0.010 1.015) 10.494 9.616 ( -9.865 -1.077 -1.250) 10.002 10.532 ( 7.424 1.724 3.979) 8.598 10.626 ( 8.222 4.003 -4.662) 10.264 10.772 ( 5.605 -3.114 1.163) 6.517 10.784 ( 8.904 -4.200 -1.308) 9.932======================= Grid point 571 (181/196) =======================q-point: (-0.46 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( -3.228 0.057 5.832) 6.666 1.362 ( -4.682 1.102 -3.318) 5.843 1.601 ( -1.077 1.524 7.970) 8.186 1.711 ( 0.120 6.518 4.225) 7.768 1.760 ( -4.330 -4.828 -2.762) 7.049 1.822 ( 0.423 -1.368 -3.524) 3.804 2.219 ( -4.810 -3.075 3.000) 6.449 2.293 ( -5.288 -1.161 -3.818) 6.625 3.116 ( -4.063 4.358 5.441) 8.069 3.202 ( -5.030 4.400 -2.903) 7.287 3.331 ( -7.514 -3.424 3.689) 9.044 3.428 ( -7.525 -3.540 -5.848) 10.167 3.851 ( -10.230 1.117 4.371) 11.180 3.883 ( -2.204 -0.204 6.786) 7.138 4.044 ( -8.032 1.820 2.777) 8.691 4.229 ( -1.579 -0.100 -10.095) 10.218 4.747 ( -0.903 -0.649 17.800) 17.834 5.117 ( 0.248 -0.834 -18.502) 18.522 9.380 ( -12.547 -0.134 1.453) 12.632 9.415 ( -12.495 -1.361 -2.105) 12.744 10.637 ( 5.054 1.286 5.462) 7.552 10.740 ( 6.085 2.465 -4.366) 7.884 10.930 ( 9.186 -2.780 2.825) 10.005 11.000 ( 11.336 -3.210 -4.769) 12.710======================= Grid point 572 (182/196) =======================q-point: (-0.38 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( -5.738 0.909 3.700) 6.887 1.215 ( -7.935 2.547 0.213) 8.337 1.564 ( -1.964 9.226 7.941) 12.330 1.682 ( 0.510 4.535 0.311) 4.575 1.751 ( -0.836 -8.387 0.033) 8.429 1.852 ( 0.724 -3.053 -6.803) 7.492 2.134 ( -3.437 0.533 3.725) 5.096 2.186 ( -5.211 4.087 -0.907) 6.685 2.971 ( -12.392 -1.334 2.744) 12.762 3.001 ( -14.991 -1.785 -0.412) 15.103 3.243 ( -2.382 -1.083 3.991) 4.772 3.337 ( -1.551 1.451 -5.290) 5.700 3.620 ( -11.176 0.867 6.766) 13.093 3.751 ( -8.875 1.547 -4.967) 10.288 4.006 ( 2.141 -1.316 12.444) 12.695 4.255 ( 2.802 -0.763 -11.031) 11.407 4.768 ( 1.960 -0.333 18.115) 18.223 5.146 ( 1.854 -0.710 -19.014) 19.118 9.133 ( -13.505 -0.363 1.192) 13.562 9.166 ( -14.339 -0.961 -2.143) 14.530 10.716 ( 3.843 -0.051 6.564) 7.606 10.833 ( 4.652 0.132 -4.594) 6.539 11.121 ( 9.462 -0.836 3.704) 10.195 11.226 ( 10.890 -1.942 -6.783) 12.976======================= Grid point 573 (183/196) =======================q-point: (-0.31 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -5.102 6.185 4.036) 8.976 1.105 ( -3.583 -0.911 -1.648) 4.048 1.431 ( -5.184 11.222 10.312) 16.098 1.629 ( -3.388 6.974 -8.429) 11.453 1.799 ( 0.986 -9.527 4.989) 10.799 1.900 ( 0.316 -9.112 -3.777) 9.869 2.073 ( -1.176 9.185 3.448) 9.882 2.109 ( 1.975 9.384 0.504) 9.603 2.725 ( -13.286 -6.872 0.341) 14.962 2.733 ( -13.571 -5.917 -0.488) 14.813 3.227 ( -0.465 2.016 5.269) 5.661 3.324 ( 0.749 3.231 -4.486) 5.579 3.473 ( -4.285 -0.655 6.916) 8.162 3.607 ( -5.010 2.525 -5.626) 7.945 4.068 ( 2.493 -3.222 12.335) 12.990 4.314 ( 2.441 -1.217 -11.190) 11.517 4.804 ( 1.443 -0.192 18.227) 18.285 5.181 ( 1.323 -0.725 -19.039) 19.099 8.905 ( -10.274 -0.452 0.713) 10.309 8.926 ( -10.096 -0.010 -1.296) 10.179 10.779 ( 2.351 -1.300 7.363) 7.838 10.909 ( 2.857 -1.631 -4.943) 5.937 11.270 ( 5.893 0.639 4.629) 7.521 11.406 ( 6.997 -0.741 -8.704) 11.193======================= Grid point 574 (184/196) =======================q-point: (-0.23 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 0.000 5.823 6.347) 8.614 1.082 ( -0.000 -2.767 -5.271) 5.953 1.310 ( 0.000 10.768 12.181) 16.258 1.546 ( 0.000 6.684 -11.232) 13.070 1.845 ( 0.000 3.359 9.024) 9.629 1.913 ( -0.000 -1.761 3.431) 3.857 2.063 ( -0.000 -1.211 -0.840) 1.473 2.084 ( 0.000 5.559 -3.696) 6.676 2.627 ( -0.000 -8.597 0.145) 8.599 2.636 ( -0.000 -8.170 -0.717) 8.202 3.203 ( 0.000 2.865 6.296) 6.917 3.317 ( 0.000 2.856 -5.033) 5.786 3.440 ( 0.000 1.003 5.201) 5.297 3.539 ( 0.000 5.147 -4.024) 6.533 4.115 ( -0.000 -4.298 11.220) 12.015 4.346 ( -0.000 -1.546 -10.848) 10.957 4.820 ( -0.000 -0.679 18.588) 18.600 5.198 ( -0.000 -0.853 -18.879) 18.898 8.798 ( 0.000 0.099 1.461) 1.464 8.828 ( 0.000 0.053 -1.480) 1.481 10.812 ( -0.000 -1.925 7.506) 7.749 10.949 ( -0.000 -2.397 -5.511) 6.010 11.321 ( 0.000 1.020 5.609) 5.701 11.476 ( 0.000 0.179 -9.548) 9.550======================= Grid point 581 (185/196) =======================q-point: (-0.69 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 5.623 -0.000 2.825) 6.293 1.269 ( 0.907 -0.000 1.293) 1.580 1.771 ( -6.136 0.000 7.012) 9.318 1.854 ( -4.520 0.000 0.883) 4.605 1.912 ( -5.427 0.000 -4.245) 6.890 1.919 ( -2.596 0.000 -2.405) 3.539 2.257 ( -2.249 0.000 8.692) 8.978 2.426 ( -2.534 0.000 -7.842) 8.241 3.365 ( -3.632 0.000 1.383) 3.887 3.388 ( -3.298 0.000 0.390) 3.321 3.446 ( 4.680 -0.000 -1.652) 4.963 3.448 ( 0.963 -0.000 -0.809) 1.258 3.935 ( -3.173 0.000 9.134) 9.670 3.958 ( -1.595 0.000 2.999) 3.396 4.218 ( 1.258 -0.000 4.886) 5.046 4.409 ( -1.135 0.000 -10.189) 10.252 5.044 ( -10.870 0.000 9.972) 14.751 5.276 ( -8.172 0.000 -12.723) 15.122 9.773 ( -8.803 0.000 0.706) 8.831 9.782 ( -8.976 0.000 -0.498) 8.990 10.385 ( 9.050 -0.000 2.039) 9.277 10.469 ( 12.059 -0.000 -6.071) 13.502 10.641 ( 2.626 -0.000 3.327) 4.238 10.680 ( 2.037 -0.000 -0.393) 2.075======================= Grid point 583 (186/196) =======================q-point: (-0.62 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 0.679 0.157 5.153) 5.200 1.365 ( 4.417 0.343 -1.385) 4.641 1.661 ( -5.260 -0.770 7.847) 9.478 1.768 ( -2.904 0.447 3.266) 4.393 1.813 ( -5.366 -1.065 -4.356) 6.994 1.861 ( -3.085 0.667 -2.290) 3.899 2.227 ( -1.981 -1.500 6.782) 7.223 2.367 ( -4.148 -0.361 -6.863) 8.027 3.265 ( -5.319 1.854 3.472) 6.617 3.326 ( -2.548 1.990 -2.061) 3.834 3.422 ( -4.824 -0.639 2.130) 5.312 3.482 ( -1.856 -0.982 -4.006) 4.523 3.887 ( -1.636 -0.712 9.073) 9.247 3.944 ( -0.868 -0.527 1.180) 1.557 4.207 ( -3.621 0.654 2.982) 4.736 4.336 ( -6.557 0.432 -7.676) 10.105 4.835 ( -9.551 -0.061 13.921) 16.883 5.145 ( -4.824 -0.303 -16.230) 16.935 9.595 ( -10.392 0.085 0.740) 10.418 9.607 ( -10.022 -0.478 -0.686) 10.057 10.546 ( 7.552 0.734 4.974) 9.072 10.668 ( 8.441 3.358 -6.091) 10.938 10.736 ( 6.776 -3.358 0.724) 7.597 10.753 ( 7.257 -1.308 -0.771) 7.414======================= Grid point 584 (187/196) =======================q-point: (-0.54 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -3.356 0.070 6.012) 6.886 1.374 ( -3.454 0.952 -4.329) 5.619 1.598 ( -1.557 -1.293 8.018) 8.269 1.715 ( -4.839 -2.500 0.504) 5.470 1.785 ( 2.277 5.693 0.280) 6.138 1.824 ( 1.979 1.225 -1.196) 2.617 2.181 ( -4.577 -3.434 4.122) 7.052 2.277 ( -5.522 -1.585 -4.825) 7.502 3.162 ( -4.445 3.986 6.461) 8.797 3.243 ( -7.909 3.116 -0.900) 8.548 3.297 ( -7.316 -2.959 1.756) 8.085 3.393 ( -6.656 -2.821 -7.504) 10.420 3.860 ( -9.558 0.610 4.368) 10.526 3.881 ( -0.961 -0.176 7.440) 7.504 4.060 ( -9.418 1.005 2.026) 9.686 4.228 ( -2.215 -0.116 -9.644) 9.896 4.742 ( -0.780 -0.346 17.496) 17.517 5.110 ( 0.399 -0.452 -18.630) 18.640 9.379 ( -12.647 -0.003 1.123) 12.697 9.403 ( -12.364 -0.843 -1.298) 12.460 10.649 ( 4.421 0.852 6.609) 7.997 10.763 ( 4.474 1.652 -3.603) 5.977 10.908 ( 10.614 -1.313 1.316) 10.776 10.968 ( 12.077 -2.451 -5.686) 13.572======================= Grid point 585 (188/196) =======================q-point: (-0.46 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -4.552 0.754 4.924) 6.748 1.260 ( -5.814 5.269 -2.108) 8.125 1.609 ( 0.505 -2.416 4.324) 4.979 1.666 ( -2.287 -6.739 -0.424) 7.129 1.734 ( -2.784 7.251 5.645) 9.601 1.870 ( -0.125 4.858 -7.208) 8.693 2.126 ( -0.409 -1.898 5.404) 5.743 2.208 ( -1.893 -0.046 -2.294) 2.975 2.970 ( -15.213 0.860 2.737) 15.481 2.992 ( -16.552 0.579 0.109) 16.562 3.219 ( -1.396 -3.205 5.424) 6.453 3.348 ( 0.105 0.449 -6.970) 6.986 3.626 ( -12.411 0.327 7.047) 14.276 3.764 ( -9.416 0.742 -5.520) 10.940 3.994 ( 1.466 -0.788 13.184) 13.289 4.248 ( 2.738 -0.493 -11.006) 11.353 4.767 ( 2.339 0.000 17.410) 17.566 5.140 ( 1.978 -0.411 -19.210) 19.316 9.129 ( -13.646 -0.304 1.183) 13.701 9.157 ( -13.845 -0.624 -1.603) 13.952 10.717 ( 3.190 0.048 7.361) 8.023 10.834 ( 3.552 -0.054 -3.499) 4.986 11.117 ( 10.658 0.120 1.624) 10.782 11.204 ( 11.368 -2.027 -7.167) 13.591======================= Grid point 586 (189/196) =======================q-point: (-0.38 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -2.618 2.310 2.228) 4.141 1.130 ( -3.570 8.578 -0.086) 9.292 1.549 ( -4.844 10.204 7.995) 13.838 1.682 ( -0.934 -1.569 0.660) 1.941 1.695 ( -0.684 -6.690 -1.382) 6.865 1.794 ( -3.225 -6.931 -6.105) 9.783 2.176 ( 4.130 7.533 3.915) 9.441 2.205 ( 4.149 7.836 1.535) 8.999 2.667 ( -15.492 -3.406 0.960) 15.891 2.682 ( -15.296 -3.207 -0.685) 15.644 3.237 ( 0.733 -0.328 6.240) 6.292 3.352 ( 0.529 1.864 -5.164) 5.516 3.453 ( -6.075 -2.832 8.493) 10.820 3.620 ( -5.057 -0.037 -7.515) 9.058 4.039 ( 1.891 -1.931 13.908) 14.168 4.303 ( 2.334 -0.703 -11.605) 11.858 4.806 ( 1.717 0.524 17.097) 17.191 5.175 ( 1.379 -0.395 -19.250) 19.304 8.901 ( -9.987 -0.342 1.058) 10.048 8.926 ( -9.843 -0.022 -1.370) 9.938 10.768 ( 1.934 -0.875 7.957) 8.236 10.893 ( 2.239 -1.339 -3.769) 4.584 11.280 ( 6.579 1.230 2.384) 7.105 11.393 ( 7.238 -1.558 -8.685) 11.412======================= Grid point 587 (190/196) =======================q-point: (-0.31 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 0.000 9.930 1.612) 10.060 1.073 ( 0.000 0.952 -0.725) 1.197 1.430 ( 0.000 11.295 9.799) 14.953 1.620 ( 0.000 6.814 -8.958) 11.255 1.754 ( -0.000 -11.636 5.428) 12.840 1.847 ( -0.000 -12.426 -3.051) 12.795 2.148 ( 0.000 15.827 6.055) 16.945 2.216 ( 0.000 13.069 -0.404) 13.075 2.531 ( -0.000 -8.930 0.341) 8.936 2.548 ( -0.000 -7.999 -1.396) 8.120 3.231 ( 0.000 2.246 6.340) 6.726 3.345 ( 0.000 2.264 -5.008) 5.496 3.424 ( -0.000 -3.917 7.766) 8.698 3.573 ( 0.000 1.147 -6.508) 6.609 4.073 ( -0.000 -3.243 13.210) 13.602 4.332 ( -0.000 -1.095 -11.668) 11.719 4.820 ( 0.000 0.521 17.471) 17.479 5.191 ( -0.000 -0.508 -19.209) 19.216 8.799 ( 0.000 0.093 1.434) 1.437 8.829 ( 0.000 0.050 -1.460) 1.460 10.793 ( -0.000 -1.468 8.086) 8.218 10.925 ( -0.000 -2.059 -4.233) 4.708 11.335 ( 0.000 1.561 3.513) 3.844 11.471 ( -0.000 -1.023 -9.663) 9.717======================= Grid point 596 (191/196) =======================q-point: (-0.62 0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -3.345 0.000 6.076) 6.936 1.379 ( -2.566 0.000 -4.999) 5.619 1.589 ( -2.631 0.000 8.201) 8.612 1.701 ( -5.351 0.000 -0.231) 5.356 1.820 ( 6.886 -0.000 -0.397) 6.898 1.833 ( 0.049 -0.000 0.810) 0.811 2.159 ( -4.814 0.000 4.841) 6.828 2.267 ( -5.952 0.000 -5.343) 7.998 3.188 ( -3.615 0.000 7.775) 8.574 3.263 ( -11.150 0.000 1.862) 11.305 3.276 ( -6.343 0.000 -1.003) 6.422 3.376 ( -5.994 0.000 -9.056) 10.860 3.864 ( -9.482 0.000 4.264) 10.397 3.879 ( -0.324 0.000 7.746) 7.753 4.065 ( -9.906 0.000 1.771) 10.063 4.227 ( -2.447 0.000 -9.464) 9.775 4.740 ( -0.720 0.000 17.387) 17.402 5.108 ( 0.461 -0.000 -18.675) 18.681 9.379 ( -12.723 0.000 0.969) 12.760 9.398 ( -12.276 0.000 -0.976) 12.315 10.654 ( 4.151 -0.000 7.112) 8.235 10.772 ( 3.551 -0.000 -3.046) 4.678 10.901 ( 11.392 -0.000 0.461) 11.401 10.953 ( 12.466 -0.000 -6.077) 13.868======================= Grid point 598 (192/196) =======================q-point: (-0.54 0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( -3.895 0.424 6.249) 7.376 1.312 ( -3.091 3.519 -5.714) 7.389 1.559 ( -1.171 -4.055 5.026) 6.563 1.619 ( -3.631 -2.116 -0.424) 4.224 1.809 ( -3.160 4.781 5.462) 7.916 1.917 ( -0.884 2.757 -5.586) 6.292 2.103 ( 2.414 -1.651 6.199) 6.854 2.195 ( -0.477 -1.370 -2.804) 3.158 2.976 ( -16.628 0.252 2.715) 16.850 3.013 ( -17.620 2.079 -0.844) 17.762 3.184 ( -0.206 -2.519 7.757) 8.159 3.349 ( 0.749 -0.025 -8.300) 8.333 3.628 ( -13.212 0.089 7.168) 15.031 3.768 ( -10.021 0.197 -5.850) 11.605 3.989 ( 1.280 -0.239 13.629) 13.691 4.245 ( 2.781 -0.164 -10.945) 11.294 4.767 ( 2.616 0.044 16.972) 17.173 5.137 ( 2.064 -0.130 -19.285) 19.396 9.127 ( -13.744 -0.122 1.214) 13.798 9.153 ( -13.544 -0.211 -1.352) 13.613 10.717 ( 2.823 0.037 7.824) 8.317 10.833 ( 2.965 -0.062 -2.739) 4.037 11.121 ( 11.351 0.361 0.055) 11.356 11.186 ( 11.581 -1.027 -7.138) 13.643======================= Grid point 599 (193/196) =======================q-point: (-0.46 0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( -1.926 2.105 5.844) 6.504 1.234 ( -1.349 9.635 -4.434) 10.691 1.593 ( 0.277 -4.891 1.803) 5.220 1.602 ( -0.160 -8.434 0.966) 8.490 1.674 ( -6.084 4.841 4.948) 9.216 1.792 ( -7.228 2.519 -5.940) 9.689 2.227 ( 8.010 2.696 3.628) 9.197 2.258 ( 6.131 1.648 0.867) 6.407 2.657 ( -16.324 0.655 1.003) 16.368 2.668 ( -16.572 0.607 -0.015) 16.583 3.221 ( 2.166 -2.271 8.296) 8.870 3.365 ( 0.680 0.691 -6.082) 6.159 3.424 ( -8.416 -2.046 9.206) 12.640 3.613 ( -5.829 -0.917 -9.014) 10.773 4.026 ( 1.679 -0.677 14.880) 14.990 4.299 ( 2.348 -0.232 -11.709) 11.945 4.813 ( 1.995 0.513 16.142) 16.272 5.173 ( 1.440 -0.146 -19.268) 19.322 8.898 ( -9.766 -0.183 1.279) 9.851 8.926 ( -9.688 -0.016 -1.421) 9.792 10.761 ( 1.671 -0.421 8.332) 8.508 10.882 ( 1.881 -0.763 -2.927) 3.562 11.294 ( 7.059 1.321 0.228) 7.185 11.375 ( 7.293 -1.583 -8.062) 10.986======================= Grid point 600 (194/196) =======================q-point: (-0.38 0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 0.000 3.041 3.982) 5.011 1.162 ( 0.000 11.957 -2.820) 12.285 1.544 ( 0.000 9.538 7.482) 12.123 1.639 ( -0.000 -9.382 3.210) 9.916 1.686 ( 0.000 5.051 -6.401) 8.153 1.701 ( -0.000 -13.768 -2.734) 14.037 2.317 ( 0.000 14.266 4.864) 15.072 2.343 ( 0.000 10.072 2.539) 10.387 2.443 ( -0.000 -7.161 0.547) 7.182 2.470 ( -0.000 -6.403 -2.224) 6.779 3.251 ( 0.000 1.409 6.378) 6.532 3.364 ( -0.000 -6.703 10.736) 12.657 3.365 ( 0.000 1.427 -4.998) 5.198 3.568 ( -0.000 -1.594 -9.322) 9.458 4.048 ( -0.000 -1.425 14.744) 14.813 4.324 ( -0.000 -0.428 -12.011) 12.019 4.828 ( 0.000 0.875 16.181) 16.205 5.187 ( -0.000 -0.198 -19.236) 19.237 8.800 ( 0.000 0.066 1.412) 1.413 8.829 ( 0.000 0.035 -1.442) 1.443 10.781 ( -0.000 -0.875 8.476) 8.521 10.906 ( -0.000 -1.386 -3.244) 3.527 11.354 ( 0.000 1.807 1.119) 2.126 11.456 ( -0.000 -1.693 -8.938) 9.097======================= Grid point 611 (195/196) =======================q-point: (-0.54 0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( -1.456 0.000 7.592) 7.730 1.300 ( 0.030 -0.000 -8.365) 8.365 1.533 ( 0.196 -0.000 3.561) 3.567 1.566 ( -1.339 0.000 0.063) 1.340 1.712 ( -6.871 0.000 4.905) 8.442 1.806 ( -7.349 0.000 -4.349) 8.540 2.244 ( 9.092 -0.000 2.634) 9.465 2.258 ( 6.247 -0.000 1.176) 6.357 2.661 ( -15.743 0.000 1.205) 15.789 2.679 ( -16.769 0.000 -0.147) 16.769 3.205 ( 2.572 -0.000 9.786) 10.118 3.368 ( 0.892 -0.000 -6.722) 6.781 3.413 ( -9.337 0.000 9.323) 13.195 3.607 ( -6.272 0.000 -9.538) 11.416 4.023 ( 1.646 -0.000 15.172) 15.261 4.297 ( 2.374 -0.000 -11.710) 11.948 4.816 ( 2.106 -0.000 15.780) 15.920 5.172 ( 1.466 -0.000 -19.251) 19.306 8.897 ( -9.684 0.000 1.354) 9.778 8.926 ( -9.636 0.000 -1.439) 9.743 10.758 ( 1.581 -0.000 8.461) 8.607 10.877 ( 1.768 -0.000 -2.623) 3.163 11.303 ( 7.267 -0.000 -0.742) 7.304 11.365 ( 7.257 -0.000 -7.637) 10.536======================= Grid point 613 (196/196) =======================q-point: (-0.46 0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 0.000 1.827 7.719) 7.933 1.281 ( 0.000 8.393 -7.753) 11.426 1.563 ( -0.000 -5.029 1.091) 5.146 1.572 ( -0.000 -7.756 0.268) 7.761 1.622 ( 0.000 4.214 5.634) 7.035 1.722 ( 0.000 1.628 -4.154) 4.462 2.387 ( -0.000 -2.837 0.566) 2.893 2.414 ( 0.000 3.884 4.865) 6.225 2.419 ( -0.000 -2.608 -2.824) 3.845 2.437 ( 0.000 6.005 2.663) 6.570 3.261 ( 0.000 0.478 6.400) 6.418 3.302 ( -0.000 -3.648 13.246) 13.739 3.375 ( 0.000 0.485 -4.994) 5.018 3.551 ( -0.000 -1.120 -11.331) 11.386 4.040 ( -0.000 -0.320 15.433) 15.436 4.321 ( -0.000 -0.070 -12.073) 12.073 4.835 ( 0.000 0.396 15.389) 15.394 5.186 ( -0.000 -0.040 -19.167) 19.167 8.801 ( 0.000 0.024 1.399) 1.399 8.830 ( 0.000 0.013 -1.432) 1.432 10.774 ( -0.000 -0.285 8.672) 8.677 10.896 ( -0.000 -0.490 -2.706) 2.750 11.371 ( 0.000 1.082 -0.706) 1.292 11.439 ( -0.000 -1.086 -8.009) 8.082=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28392 10.0 66.635 104.049 34.902 0.000 0.000 0.000 3/28392 20.0 17.104 19.932 7.031 0.000 0.000 0.000 3/28392 30.0 8.457 8.979 3.756 0.000 0.000 0.000 3/28392 40.0 5.537 5.506 2.654 0.000 0.000 0.000 3/28392 50.0 4.175 3.938 2.149 0.000 0.000 0.000 3/28392 60.0 3.394 3.068 1.860 0.000 0.000 0.000 3/28392 70.0 2.883 2.521 1.663 0.000 0.000 0.000 3/28392 80.0 2.520 2.145 1.512 0.000 0.000 0.000 3/28392 90.0 2.246 1.870 1.388 0.000 0.000 0.000 3/28392 100.0 2.032 1.661 1.284 0.000 0.000 0.000 3/28392 110.0 1.858 1.496 1.195 0.000 0.000 0.000 3/28392 120.0 1.715 1.363 1.116 0.000 0.000 0.000 3/28392 130.0 1.594 1.252 1.047 0.000 0.000 0.000 3/28392 140.0 1.491 1.159 0.986 0.000 0.000 0.000 3/28392 150.0 1.401 1.080 0.932 0.000 0.000 0.000 3/28392 160.0 1.322 1.011 0.883 0.000 0.000 0.000 3/28392 170.0 1.252 0.950 0.839 0.000 0.000 0.000 3/28392 180.0 1.190 0.897 0.799 0.000 0.000 0.000 3/28392 190.0 1.133 0.850 0.762 0.000 0.000 0.000 3/28392 200.0 1.082 0.807 0.729 0.000 0.000 0.000 3/28392 210.0 1.036 0.769 0.698 0.000 0.000 0.000 3/28392 220.0 0.993 0.734 0.670 0.000 0.000 0.000 3/28392 230.0 0.954 0.703 0.644 0.000 0.000 0.000 3/28392 240.0 0.918 0.674 0.620 0.000 0.000 0.000 3/28392 250.0 0.885 0.647 0.598 0.000 0.000 0.000 3/28392 260.0 0.854 0.622 0.577 0.000 0.000 0.000 3/28392 270.0 0.825 0.600 0.558 0.000 0.000 0.000 3/28392 280.0 0.798 0.579 0.539 0.000 0.000 0.000 3/28392 290.0 0.773 0.559 0.522 0.000 0.000 0.000 3/28392 300.0 0.749 0.541 0.506 0.000 0.000 0.000 3/28392 310.0 0.727 0.523 0.491 0.000 0.000 0.000 3/28392 320.0 0.706 0.507 0.477 0.000 0.000 0.000 3/28392 330.0 0.686 0.492 0.464 0.000 0.000 0.000 3/28392 340.0 0.668 0.478 0.451 0.000 0.000 0.000 3/28392 350.0 0.650 0.465 0.439 0.000 0.000 0.000 3/28392 360.0 0.633 0.452 0.428 0.000 0.000 0.000 3/28392 370.0 0.617 0.440 0.417 0.000 0.000 0.000 3/28392 380.0 0.602 0.428 0.407 0.000 0.000 0.000 3/28392 390.0 0.588 0.418 0.397 0.000 0.000 0.000 3/28392 400.0 0.574 0.407 0.388 0.000 0.000 0.000 3/28392 410.0 0.561 0.398 0.379 0.000 0.000 0.000 3/28392 420.0 0.548 0.388 0.370 0.000 0.000 0.000 3/28392 430.0 0.536 0.379 0.362 0.000 0.000 0.000 3/28392 440.0 0.525 0.371 0.354 0.000 0.000 0.000 3/28392 450.0 0.514 0.363 0.347 0.000 0.000 0.000 3/28392 460.0 0.503 0.355 0.340 0.000 0.000 0.000 3/28392 470.0 0.493 0.348 0.333 0.000 0.000 0.000 3/28392 480.0 0.483 0.340 0.326 0.000 0.000 0.000 3/28392 490.0 0.474 0.334 0.320 0.000 0.000 0.000 3/28392 500.0 0.465 0.327 0.314 0.000 0.000 0.000 3/28392 510.0 0.456 0.321 0.308 0.000 0.000 0.000 3/28392 520.0 0.448 0.315 0.302 0.000 0.000 0.000 3/28392 530.0 0.440 0.309 0.297 0.000 0.000 0.000 3/28392 540.0 0.432 0.303 0.292 0.000 0.000 0.000 3/28392 550.0 0.425 0.298 0.287 0.000 0.000 0.000 3/28392 560.0 0.418 0.292 0.282 0.000 0.000 0.000 3/28392 570.0 0.411 0.287 0.277 0.000 0.000 0.000 3/28392 580.0 0.404 0.283 0.272 0.000 0.000 0.000 3/28392 590.0 0.397 0.278 0.268 0.000 0.000 0.000 3/28392 600.0 0.391 0.273 0.264 0.000 0.000 0.000 3/28392 610.0 0.385 0.269 0.259 0.000 0.000 0.000 3/28392 620.0 0.379 0.265 0.255 0.000 0.000 0.000 3/28392 630.0 0.373 0.260 0.252 0.000 0.000 0.000 3/28392 640.0 0.368 0.256 0.248 0.000 0.000 0.000 3/28392 650.0 0.362 0.252 0.244 0.000 0.000 0.000 3/28392 660.0 0.357 0.249 0.241 0.000 0.000 0.000 3/28392 670.0 0.352 0.245 0.237 0.000 0.000 0.000 3/28392 680.0 0.347 0.241 0.234 0.000 0.000 0.000 3/28392 690.0 0.342 0.238 0.230 0.000 0.000 0.000 3/28392 700.0 0.337 0.235 0.227 0.000 0.000 0.000 3/28392 710.0 0.333 0.231 0.224 0.000 0.000 0.000 3/28392 720.0 0.328 0.228 0.221 0.000 0.000 0.000 3/28392 730.0 0.324 0.225 0.218 0.000 0.000 0.000 3/28392 740.0 0.320 0.222 0.215 0.000 0.000 0.000 3/28392 750.0 0.316 0.219 0.213 0.000 0.000 0.000 3/28392 760.0 0.312 0.216 0.210 0.000 0.000 0.000 3/28392 770.0 0.308 0.214 0.207 0.000 0.000 0.000 3/28392 780.0 0.304 0.211 0.205 0.000 0.000 0.000 3/28392 790.0 0.300 0.208 0.202 0.000 0.000 0.000 3/28392 800.0 0.297 0.206 0.200 0.000 0.000 0.000 3/28392 810.0 0.293 0.203 0.197 0.000 0.000 0.000 3/28392 820.0 0.290 0.201 0.195 0.000 0.000 0.000 3/28392 830.0 0.286 0.198 0.193 0.000 0.000 0.000 3/28392 840.0 0.283 0.196 0.191 0.000 0.000 0.000 3/28392 850.0 0.280 0.194 0.188 0.000 0.000 0.000 3/28392 860.0 0.277 0.191 0.186 0.000 0.000 0.000 3/28392 870.0 0.274 0.189 0.184 0.000 0.000 0.000 3/28392 880.0 0.271 0.187 0.182 0.000 0.000 0.000 3/28392 890.0 0.268 0.185 0.180 0.000 0.000 0.000 3/28392 900.0 0.265 0.183 0.178 0.000 0.000 0.000 3/28392 910.0 0.262 0.181 0.176 0.000 0.000 0.000 3/28392 920.0 0.259 0.179 0.174 0.000 0.000 0.000 3/28392 930.0 0.256 0.177 0.173 0.000 0.000 0.000 3/28392 940.0 0.254 0.175 0.171 0.000 0.000 0.000 3/28392 950.0 0.251 0.173 0.169 0.000 0.000 0.000 3/28392 960.0 0.249 0.172 0.167 0.000 0.000 0.000 3/28392 970.0 0.246 0.170 0.166 0.000 0.000 0.000 3/28392 980.0 0.244 0.168 0.164 0.000 0.000 0.000 3/28392 990.0 0.241 0.167 0.162 0.000 0.000 0.000 3/28392 1000.0 0.239 0.165 0.161 0.000 0.000 0.000 3/28392Thermal conductivity related properties were written into "kappa-m13137.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:56:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|